1-[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[(1-oxo-2,2-diphenylethyl)hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[N'-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C24H24N6O5 MolecularWeight: 476.48456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O5/c31-23(19(16-7-3-1-4-8-16)17-9-5-2-6-10-17)28-27-21-20(30(34)35)22(26-15-25-21)29-13-11-18(12-14-29)24(32)33/h1-10,15,18-19H,11-14H2,(H,28,31)(H,32,33)(H,25,26,27)