methyl 3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-[(phenylmethylidene)amino]propanoate

Systemtic Name: methyl 3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-[(phenylmethylidene)amino]propanoate Openeye Name: methyl 2-(benzylideneamino)-3-(6-bromo-1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-[(phenylmethylene)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylideneamino)-3-(6-bromo-1,3-benzodioxol-5-yl)propanoate Traditional Name: 2-(benzalamino)-3-(6-bromo-1,3-benzodioxol-5-yl)propionic acid methyl ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1Br)OCO2)N=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1Br)OCO2)N=CC3=CC=CC=C3

InChI

InChI=1S/C18H16BrNO4/c1-22-18(21)15(20-10-12-5-3-2-4-6-12)7-13-8-16-17(9-14(13)19)24-11-23-16/h2-6,8-10,15H,7,11H2,1H3