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

Systemtic Name: ethyl 1-[5-nitro-6-[2-(2-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-[[(2-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-[N'-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H21N7O7 MolecularWeight: 459.41274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O7/c1-2-33-19(28)12-6-5-9-24(10-12)17-15(26(31)32)16(20-11-21-17)22-23-18(27)13-7-3-4-8-14(13)25(29)30/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,23,27)(H,20,21,22)