[4-[(Z)-[(3-bromophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(Z)-[(3-bromophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(Z)-[(3-bromobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(Z)-[[(3-bromophenyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(Z)-[(3-bromobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN3O6/c1-31-20-11-14(13-24-25-21(27)16-3-2-4-17(23)12-16)5-10-19(20)32-22(28)15-6-8-18(9-7-15)26(29)30/h2-13H,1H3,(H,25,27)/b24-13-