[4-[[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]phenyl] hexanoate

Systemtic Name: [4-[[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]phenyl] hexanoate Openeye Name: [4-[(1-amino-9,10-dioxo-anthracene-2-carbonyl)amino]phenyl] hexanoate CAS Name: hexanoic acid [4-[[(1-amino-9,10-dioxo-2-anthracenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(1-amino-9,10-dioxoanthracene-2-carbonyl)amino]phenyl] hexanoate Traditional Name: hexanoic acid [4-[(1-amino-9,10-diketo-anthracene-2-carbonyl)amino]phenyl] ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C27H24N2O5/c1-2-3-4-9-22(30)34-17-12-10-16(11-13-17)29-27(33)21-15-14-20-23(24(21)28)26(32)19-8-6-5-7-18(19)25(20)31/h5-8,10-15H,2-4,9,28H2,1H3,(H,29,33)