methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5/c1-28-19(25)14-9-13(10-17(11-14)23(26)27)18(24)22-7-5-21(6-8-22)16-4-2-3-15(20)12-16/h2-4,9-12H,5-8H2,1H3