methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-nitropyridin-2-yl)piperazin-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-nitropyridin-2-yl)piperazin-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-nitro-2-pyridyl)piperazin-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-nitropyridin-2-yl)piperazin-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(3-nitro-2-pyridyl)piperazino]acetic acid methyl ester Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O4/c1-27-18(24)16(13-5-2-3-6-14(13)19)21-9-11-22(12-10-21)17-15(23(25)26)7-4-8-20-17/h2-8,16H,9-12H2,1H3/t16-/m1/s1