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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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