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

Systemtic Name: 3-(3-nitrophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(4-isopropylphenyl)methyleneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(3-nitrophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3-nitrophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(4-isopropylbenzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3/c1-13(2)15-8-6-14(7-9-15)12-21-24-20(26)19-11-18(22-23-19)16-4-3-5-17(10-16)25(27)28/h3-13H,1-2H3,(H,22,23)(H,24,26)/b21-12+