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

Systemtic Name: methyl 1-[5-nitro-6-[2-(3-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[2-(3-nitrobenzoyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[[(3-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-[2-(3-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[N'-(3-nitrobenzoyl)hydrazino]pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H19N7O7 MolecularWeight: 445.38616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O7/c1-32-18(27)11-5-7-23(8-6-11)16-14(25(30)31)15(19-10-20-16)21-22-17(26)12-3-2-4-13(9-12)24(28)29/h2-4,9-11H,5-8H2,1H3,(H,22,26)(H,19,20,21)