[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)methoxy]benzoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)methoxy]benzoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(m-tolylmethoxy)benzoate CAS Name: 3-[(3-methylphenyl)methoxy]benzoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 3-[(3-methylphenyl)methoxy]benzoate Traditional Name: 3-(3-methylbenzyl)oxybenzoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O6/c1-20-4-2-5-21(16-20)18-35-25-7-3-6-22(17-25)27(32)36-19-26(31)29-14-12-28(13-15-29)23-8-10-24(11-9-23)30(33)34/h2-11,16-17H,12-15,18-19H2,1H3