N-(2,3-dimethylphenyl)-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[(4-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-(4-nitrobenzoyl)isonipecotamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O4/c1-14-4-3-5-19(15(14)2)22-20(25)16-10-12-23(13-11-16)21(26)17-6-8-18(9-7-17)24(27)28/h3-9,16H,10-13H2,1-2H3,(H,22,25)