11-(3-azaniumyl-4-oxidanidyl-4-oxidanylidene-butanoyl)-1-oxidanidyl-5-oxidanylidene-pyrido[3,2-a]phenoxazine-3-carboxylate

Systemtic Name: 11-(3-azaniumyl-4-oxidanidyl-4-oxidanylidene-butanoyl)-1-oxidanidyl-5-oxidanylidene-pyrido[3,2-a]phenoxazine-3-carboxylate Openeye Name: 11-(3-azaniumyl-4-oxido-4-oxo-butanoyl)-1-oxido-5-oxo-pyrido[3,2-a]phenoxazine-3-carboxylate CAS Name: 11-(3-ammonio-4-oxido-1,4-dioxobutyl)-1-oxido-5-oxo-3-pyrido[3,2-a]phenoxazinecarboxylate IUPAC Name: 11-(3-azaniumyl-4-oxido-4-oxobutanoyl)-1-oxido-5-oxopyrido[3,2-a]phenoxazine-3-carboxylate Traditional Name: 11-(3-ammonio-4-keto-4-oxido-butanoyl)-5-keto-1-oxido-pyrido[3,2-a]phenoxazine-3-carboxylate Formula: C20H11N3O8-2 MolecularWeight: 421.31664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC3=CC(=O)C4=C(C3=N2)C(=CC(=N4)C(=O)[O-])[O-])C(=O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC(=C2C(=C1)OC3=CC(=O)C4=C(C3=N2)C(=CC(=N4)C(=O)[O-])[O-])C(=O)CC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C20H13N3O8/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/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)/p-2