(4-heptylphenyl) 1-azanyl-9,10-bis(oxidanylidene)-4-(prop-2-enoylamino)anthracene-2-carboxylate

Systemtic Name: (4-heptylphenyl) 1-azanyl-9,10-bis(oxidanylidene)-4-(prop-2-enoylamino)anthracene-2-carboxylate Openeye Name: (4-heptylphenyl) 1-amino-9,10-dioxo-4-(prop-2-enoylamino)anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-4-(1-oxoprop-2-enylamino)-2-anthracenecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 1-amino-9,10-dioxo-4-(prop-2-enoylamino)anthracene-2-carboxylate Traditional Name: 4-acrylamido-1-amino-9,10-diketo-anthracene-2-carboxylic acid (4-heptylphenyl) ester Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC(=O)C=C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC(=O)C=C

InChI

InChI=1S/C31H30N2O5/c1-3-5-6-7-8-11-19-14-16-20(17-15-19)38-31(37)23-18-24(33-25(34)4-2)26-27(28(23)32)30(36)22-13-10-9-12-21(22)29(26)35/h4,9-10,12-18H,2-3,5-8,11,32H2,1H3,(H,33,34)