ethyl 1-[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN5O4/c1-3-29-19(26)13-5-4-8-24(10-13)18-16(25(27)28)17(21-11-22-18)23-15-9-14(20)7-6-12(15)2/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,21,22,23)