ethyl 5-chloranyl-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[(2-methyl-3-nitroanilino)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(2-methyl-3-nitrophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(2-methyl-3-nitro-phenyl)carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C20H22ClN5O5 MolecularWeight: 447.87218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C20H22ClN5O5/c1-3-31-19(27)14-11-15(21)18(22-12-14)24-7-9-25(10-8-24)20(28)23-16-5-4-6-17(13(16)2)26(29)30/h4-6,11-12H,3,7-10H2,1-2H3,(H,23,28)