[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C19H19ClN4O5 MolecularWeight: 418.83096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O5/c20-14-3-1-2-4-16(14)22-7-9-23(10-8-22)18(25)12-29-19(26)13-5-6-15(21)17(11-13)24(27)28/h1-6,11H,7-10,12,21H2