4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylbutan-2-ylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylbutan-2-ylideneamino]pyrazole-3-carboxamide Openeye Name: N-[(Z)-1-benzylpropylideneamino]-4-bromo-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylbutan-2-ylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylbutan-2-ylideneamino]pyrazole-3-carboxamide Traditional Name: N-[(Z)-1-benzylpropylideneamino]-4-bromo-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C21H20BrN5O3 MolecularWeight: 470.3192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=NN(C=C1Br)CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC/C(=N/NC(=O)C1=NN(C=C1Br)CC2=CC=C(C=C2)[N+](=O)[O-])/CC3=CC=CC=C3

InChI

InChI=1S/C21H20BrN5O3/c1-2-17(12-15-6-4-3-5-7-15)23-24-21(28)20-19(22)14-26(25-20)13-16-8-10-18(11-9-16)27(29)30/h3-11,14H,2,12-13H2,1H3,(H,24,28)/b23-17-