N-butyl-1-[4-(methylamino)-3-nitro-phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-butyl-1-[4-(methylamino)-3-nitro-phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-butyl-1-[4-(methylamino)-3-nitro-benzoyl]piperidine-4-carboxamide CAS Name: N-butyl-1-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-butyl-1-[4-(methylamino)-3-nitrobenzoyl]piperidine-4-carboxamide Traditional Name: N-butyl-1-[4-(methylamino)-3-nitro-benzoyl]isonipecotamide Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4/c1-3-4-9-20-17(23)13-7-10-21(11-8-13)18(24)14-5-6-15(19-2)16(12-14)22(25)26/h5-6,12-13,19H,3-4,7-11H2,1-2H3,(H,20,23)