1-[(3-bromophenyl)methyl]-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-1-naphthylmethyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-1-naphthalenylmethylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-1-naphthylmethyleneamino]-4-nitro-pyrazole-3-carboxamide Formula: C22H16BrN5O3 MolecularWeight: 478.29814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H16BrN5O3/c23-18-9-3-5-15(11-18)13-27-14-20(28(30)31)21(26-27)22(29)25-24-12-17-8-4-7-16-6-1-2-10-19(16)17/h1-12,14H,13H2,(H,25,29)/b24-12+