1-[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(2-methylbenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[[(2-methylphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(N'-o-toluoylhydrazino)pyrimidin-4-yl]isonipecotic acid Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20N6O5/c1-11-4-2-3-5-13(11)17(25)22-21-15-14(24(28)29)16(20-10-19-15)23-8-6-12(7-9-23)18(26)27/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H,26,27)(H,19,20,21)