N-[3-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[3-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[3-(isobutyrylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-13(2)19(26)21-14-5-3-6-15(11-14)22-20(27)18-9-10-24(23-18)16-7-4-8-17(12-16)25(28)29/h3-13H,1-2H3,(H,21,26)(H,22,27)