1-[(3-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-(3-chlorobenzylidene)amino]-4-nitro-pyrazole-3-carboxamide Formula: C18H13BrClN5O3 MolecularWeight: 462.68452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)NN=CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)N/N=C/C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrClN5O3/c19-14-5-1-4-13(7-14)10-24-11-16(25(27)28)17(23-24)18(26)22-21-9-12-3-2-6-15(20)8-12/h1-9,11H,10H2,(H,22,26)/b21-9+