Molecule ID: 54748215

IUPAC Name: 2-azaniumyl-4-(3-carboxy-5-oxido-1-oxo-4,12-dihydropyrido[3,2-a]phenoxazin-11-yl)-4-oxobutanoate

Description: The molecule is conjugate base of 5,12-dihydroxanthommatin having anionic carboxy groups and a protonated primary amino group. It is a conjugate base of a 5,12-dihydroxanthommatin.

SMILES: NC(CC(=O)c1cccc2c1Nc1c(cc(O)c3nc(C(=O)O)cc([O-])c13)O2)C(=O)O

SELFIES: [N][C][Branch2][Ring2][P][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][C][O][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][C][O-1][=C][Ring1][#C][Ring1][#Branch2][O][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H15N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8,23,26H,4,21H2,(H,22,25)(H,27,28)(H,29,30)/p-1

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: -0.6