[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H19N3O5 MolecularWeight: 465.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C27H19N3O5/c1-16(35-27(34)17-7-10-19(11-8-17)30-14-4-13-28-30)26(33)29-18-9-12-22-23(15-18)25(32)21-6-3-2-5-20(21)24(22)31/h2-16H,1H3,(H,29,33)