[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C25H20N2O7 MolecularWeight: 460.4355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C25H20N2O7/c1-32-13-7-10-19(33-2)18(11-13)27-20(28)12-34-25(31)17-9-8-16-21(22(17)26)24(30)15-6-4-3-5-14(15)23(16)29/h3-11H,12,26H2,1-2H3,(H,27,28)