1-(4-methylphenyl)carbonyl-N-[2-[(2-nitrophenyl)amino]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)carbonyl-N-[2-[(2-nitrophenyl)amino]ethyl]piperidine-3-carboxamide Openeye Name: 1-(4-methylbenzoyl)-N-[2-(2-nitroanilino)ethyl]piperidine-3-carboxamide CAS Name: 1-[(4-methylphenyl)-oxomethyl]-N-[2-(2-nitroanilino)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methylbenzoyl)-N-[2-(2-nitroanilino)ethyl]piperidine-3-carboxamide Traditional Name: N-[2-(2-nitroanilino)ethyl]-1-p-toluoyl-nipecotamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-16-8-10-17(11-9-16)22(28)25-14-4-5-18(15-25)21(27)24-13-12-23-19-6-2-3-7-20(19)26(29)30/h2-3,6-11,18,23H,4-5,12-15H2,1H3,(H,24,27)