methyl 6-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]nicotinic acid methyl ester Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O5/c1-28-18(25)12-2-4-14(20-11-12)17(24)22-8-6-21(7-9-22)15-5-3-13(19)10-16(15)23(26)27/h2-5,10-11H,6-9H2,1H3