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

Systemtic Name: ethyl 1-[6-[2-(3-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-(3-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[[(3-chlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(3-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[N'-(3-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H21ClN6O5 MolecularWeight: 448.86024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN6O5/c1-2-31-19(28)12-6-8-25(9-7-12)17-15(26(29)30)16(21-11-22-17)23-24-18(27)13-4-3-5-14(20)10-13/h3-5,10-12H,2,6-9H2,1H3,(H,24,27)(H,21,22,23)