[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C21H22ClN3O7 MolecularWeight: 463.86828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C21H22ClN3O7/c1-30-18-12-14(11-17(22)20(18)31-2)21(27)32-13-19(26)24-9-7-23(8-10-24)15-3-5-16(6-4-15)25(28)29/h3-6,11-12H,7-10,13H2,1-2H3