1-[2-[(4-nitrophenyl)carbamoylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-[(4-nitrophenyl)carbamoylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-[(4-nitrophenyl)carbamoylamino]-2-oxo-ethyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[[(4-nitroanilino)-oxomethyl]amino]-2-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-keto-2-[(4-nitrophenyl)carbamoylamino]ethyl]-N-phenyl-nipecotamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O5/c27-19(24-21(29)23-17-8-10-18(11-9-17)26(30)31)14-25-12-4-5-15(13-25)20(28)22-16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-14H2,(H,22,28)(H2,23,24,27,29)