N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c27-20(15-7-8-15)23-16-4-1-3-14(11-16)13-22-21(28)19-9-10-25(24-19)17-5-2-6-18(12-17)26(29)30/h1-6,9-12,15H,7-8,13H2,(H,22,28)(H,23,27)