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

Systemtic Name: ethyl 1-[5-nitro-6-[2-(3-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(3-nitrobenzoyl)hydrazino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-[[(3-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[2-(3-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-[N'-(3-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)13-6-4-8-24(10-13)17-15(26(31)32)16(20-11-21-17)22-23-18(27)12-5-3-7-14(9-12)25(29)30/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,23,27)(H,20,21,22)