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

Systemtic Name: ethyl 1-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-2-28-18(25)13-7-6-10-23(11-13)17-15(24(26)27)16(19-12-20-17)22-21-14-8-4-3-5-9-14/h3-5,8-9,12-13,21H,2,6-7,10-11H2,1H3,(H,19,20,22)