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

Systemtic Name: ethyl 1-[6-(2,2-diphenylhydrazinyl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(2,2-diphenylhydrazino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(2,2-diphenylhydrazinyl)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(N',N'-diphenylhydrazino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NN(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NN(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O4/c1-2-34-24(31)18-10-9-15-28(16-18)23-21(30(32)33)22(25-17-26-23)27-29(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,17-18H,2,9-10,15-16H2,1H3,(H,25,26,27)