N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[5-(isobutyrylamino)-2-methyl-phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-13(2)20(27)22-15-8-7-14(3)19(11-15)23-21(28)18-9-10-25(24-18)16-5-4-6-17(12-16)26(29)30/h4-13H,1-3H3,(H,22,27)(H,23,28)