1-[2-[4-(methylamino)-3-nitro-phenyl]carbonylphenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[4-(methylamino)-3-nitro-phenyl]carbonylphenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[4-(methylamino)-3-nitro-benzoyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-(methylamino)-3-nitrobenzoyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[4-(methylamino)-3-nitro-benzoyl]benzoyl]isonipecotamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-23-17-7-6-14(12-18(17)25(29)30)19(26)15-4-2-3-5-16(15)21(28)24-10-8-13(9-11-24)20(22)27/h2-7,12-13,23H,8-11H2,1H3,(H2,22,27)