2-[(Z)-[[1-[(3-bromophenyl)methyl]-4-nitro-pyrazol-3-yl]carbonylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[[1-[(3-bromophenyl)methyl]-4-nitro-pyrazol-3-yl]carbonylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-[[1-[(3-bromophenyl)methyl]-4-nitro-pyrazole-3-carbonyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[[1-[(3-bromophenyl)methyl]-4-nitro-3-pyrazolyl]-oxomethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-[[1-[(3-bromophenyl)methyl]-4-nitropyrazole-3-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-[[1-(3-bromobenzyl)-4-nitro-pyrazole-3-carbonyl]hydrazono]methyl]-4-nitro-phenolate Formula: C18H12BrN6O6- MolecularWeight: 488.22848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN6O6/c19-13-3-1-2-11(6-13)9-23-10-15(25(30)31)17(22-23)18(27)21-20-8-12-7-14(24(28)29)4-5-16(12)26/h1-8,10,26H,9H2,(H,21,27)/p-1/b20-8-