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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C21H17N3O5/c1-24(10-4-9-22)16(25)11-29-21(28)15-8-7-14-17(18(15)23)20(27)13-6-3-2-5-12(13)19(14)26/h2-3,5-8H,4,10-11,23H2,1H3