[4-bromanyl-2-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C22H16BrN3O5 MolecularWeight: 482.28354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN3O5/c1-14-5-2-3-8-19(14)22(28)31-20-10-9-17(23)11-16(20)13-24-25-21(27)15-6-4-7-18(12-15)26(29)30/h2-13H,1H3,(H,25,27)/b24-13+