[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl] ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H14N2O6/c25-18(12-30-22(28)13-8-10-24(29)11-9-13)23-17-7-3-6-16-19(17)21(27)15-5-2-1-4-14(15)20(16)26/h1-11H,12H2,(H,23,25)