methyl 2-(4-chlorophenyl)-2-[4-(2-methyl-5-nitro-pyridin-3-yl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(2-methyl-5-nitro-pyridin-3-yl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(2-methyl-5-nitro-pyridine-3-carbonyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(2-methyl-5-nitro-3-pyridinyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(2-methyl-5-nitropyridine-3-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(2-methyl-5-nitro-nicotinoyl)piperazino]acetic acid methyl ester Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5/c1-13-17(11-16(12-22-13)25(28)29)19(26)24-9-7-23(8-10-24)18(20(27)30-2)14-3-5-15(21)6-4-14/h3-6,11-12,18H,7-10H2,1-2H3