N-[(E)-anthracen-9-ylmethylideneamino]-1-[(3-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-anthracen-9-ylmethylideneamino]-1-[(3-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(E)-9-anthrylmethyleneamino]-1-[(3-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(E)-9-anthracenylmethylideneamino]-1-[(3-bromophenyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(E)-anthracen-9-ylmethylideneamino]-1-[(3-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: N-[(E)-9-anthrylmethyleneamino]-1-(3-bromobenzyl)-4-nitro-pyrazole-3-carboxamide Formula: C26H18BrN5O3 MolecularWeight: 528.35682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=O)C4=NN(C=C4[N+](=O)[O-])CC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)C4=NN(C=C4[N+](=O)[O-])CC5=CC(=CC=C5)Br

InChI

InChI=1S/C26H18BrN5O3/c27-20-9-5-6-17(12-20)15-31-16-24(32(34)35)25(30-31)26(33)29-28-14-23-21-10-3-1-7-18(21)13-19-8-2-4-11-22(19)23/h1-14,16H,15H2,(H,29,33)/b28-14+