ethyl 1-[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[2-(2-methylbenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[[(2-methylphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(N'-o-toluoylhydrazino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5/c1-3-31-20(28)14-8-6-10-25(11-14)18-16(26(29)30)17(21-12-22-18)23-24-19(27)15-9-5-4-7-13(15)2/h4-5,7,9,12,14H,3,6,8,10-11H2,1-2H3,(H,24,27)(H,21,22,23)