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

Systemtic Name: methyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4/c1-26-18(23)16-12-15(22(24)25)5-6-17(16)21-9-7-20(8-10-21)14-4-2-3-13(19)11-14/h2-6,11-12H,7-10H2,1H3