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

Systemtic Name: [4-bromanyl-2-[(E)-[(4-propoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[(4-propoxybenzoyl)hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[oxo-(4-propoxyphenyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[(4-propoxybenzoyl)hydrazono]methyl]phenyl] ester Formula: C25H23BrN2O4 MolecularWeight: 495.36512

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H23BrN2O4/c1-3-13-31-22-10-7-18(8-11-22)24(29)28-27-16-20-15-21(26)9-12-23(20)32-25(30)19-6-4-5-17(2)14-19/h4-12,14-16H,3,13H2,1-2H3,(H,28,29)/b27-16+