methyl 3-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-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=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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