[4-bromanyl-2-[(E)-[2-(2-nitrophenoxy)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(2-nitrophenoxy)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[2-(2-nitrophenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C23H18BrN3O6 MolecularWeight: 512.30952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H18BrN3O6/c1-15-5-4-6-16(11-15)23(29)33-20-10-9-18(24)12-17(20)13-25-26-22(28)14-32-21-8-3-2-7-19(21)27(30)31/h2-13H,14H2,1H3,(H,26,28)/b25-13+