1-azanyl-4-[(2-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 1-azanyl-4-[(2-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 1-amino-4-(2-butylanilino)-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 1-amino-4-(2-butylanilino)-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-(2-butylanilino)-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 1-amino-4-(2-butylanilino)-9,10-diketo-anthracene-2-carboxylic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC2=C3C(=C(C(=C2)C(=O)O)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCC1=CC=CC=C1NC2=C3C(=C(C(=C2)C(=O)O)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O4/c1-2-3-8-14-9-4-7-12-18(14)27-19-13-17(25(30)31)22(26)21-20(19)23(28)15-10-5-6-11-16(15)24(21)29/h4-7,9-13,27H,2-3,8,26H2,1H3,(H,30,31)