[4-bromanyl-2-[(E)-[(4-butoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-butoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate Openeye Name: [4-bromo-2-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]phenyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [4-bromo-2-[(E)-[[(4-butoxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-bromo-2-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]phenyl] ester Formula: C27H25BrN2O4 MolecularWeight: 521.4024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H25BrN2O4/c1-2-3-17-33-24-13-10-21(11-14-24)27(32)30-29-19-22-18-23(28)12-15-25(22)34-26(31)16-9-20-7-5-4-6-8-20/h4-16,18-19H,2-3,17H2,1H3,(H,30,32)/b16-9+,29-19+