methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-nitro-2-pyridyl)piperazin-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(5-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=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O4/c1-27-18(24)17(14-4-2-3-5-15(14)19)22-10-8-21(9-11-22)16-7-6-13(12-20-16)23(25)26/h2-7,12,17H,8-11H2,1H3/t17-/m1/s1