(4-butylphenyl) 1-azanyl-4-(methylamino)-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-butylphenyl) 1-azanyl-4-(methylamino)-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-butylphenyl) 1-amino-4-(methylamino)-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-4-(methylamino)-9,10-dioxo-2-anthracenecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 1-amino-4-(methylamino)-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-4-(methylamino)anthracene-2-carboxylic acid (4-butylphenyl) ester Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC

InChI

InChI=1S/C26H24N2O4/c1-3-4-7-15-10-12-16(13-11-15)32-26(31)19-14-20(28-2)21-22(23(19)27)25(30)18-9-6-5-8-17(18)24(21)29/h5-6,8-14,28H,3-4,7,27H2,1-2H3