[4-[(E)-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[(E)-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-[[2-(2-methylanilino)-2-oxo-acetyl]hydrazono]methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[2-(2-methylanilino)-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-[[2-keto-2-(o-toluidino)acetyl]hydrazono]methyl]phenyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C27H27N3O5/c1-3-4-17-34-22-15-11-21(12-16-22)27(33)35-23-13-9-20(10-14-23)18-28-30-26(32)25(31)29-24-8-6-5-7-19(24)2/h5-16,18H,3-4,17H2,1-2H3,(H,29,31)(H,30,32)/b28-18+