1-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[1-methyl-2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-1-methyl-2-(2-methyl-4-nitro-anilino)ethyl]isonipecotamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-16-14-20(27(30)31)8-9-21(16)25-22(28)17(2)26-12-10-19(11-13-26)23(29)24-15-18-6-4-3-5-7-18/h3-9,14,17,19H,10-13,15H2,1-2H3,(H,24,29)(H,25,28)