[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C26H21NO7 MolecularWeight: 459.44744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C26H21NO7/c1-32-20-11-10-15(12-21(20)33-2)13-27-22(28)14-34-26(31)19-9-5-8-18-23(19)25(30)17-7-4-3-6-16(17)24(18)29/h3-12H,13-14H2,1-2H3,(H,27,28)