3-[4-(2-methylpropyl)phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-[4-(2-methylpropyl)phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-isobutylphenyl)-N-[(E)-(3-nitrophenyl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-[4-(2-methylpropyl)phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-[4-(2-methylpropyl)phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-isobutylphenyl)-N-[(E)-(3-nitrobenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-14(2)10-15-6-8-17(9-7-15)19-12-20(24-23-19)21(27)25-22-13-16-4-3-5-18(11-16)26(28)29/h3-9,11-14H,10H2,1-2H3,(H,23,24)(H,25,27)/b22-13+