[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C25H20N2O5/c1-13-6-5-7-14(2)22(13)27-19(28)12-32-25(31)18-11-10-17-20(21(18)26)24(30)16-9-4-3-8-15(16)23(17)29/h3-11H,12,26H2,1-2H3,(H,27,28)