1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrazole-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-[(E)-1-methyl-3-phenyl-prop-2-enylidene]amino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]pyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-[(E)-1-methyl-3-phenyl-prop-2-enylidene]amino]-4-nitro-pyrazole-3-carboxamide Formula: C21H18BrN5O3 MolecularWeight: 468.30332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN5O3/c1-15(10-11-16-6-3-2-4-7-16)23-24-21(28)20-19(27(29)30)14-26(25-20)13-17-8-5-9-18(22)12-17/h2-12,14H,13H2,1H3,(H,24,28)/b11-10+,23-15+