methyl (E)-2-(azanyldiazenyl)-3-(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-(azanyldiazenyl)-3-(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: methyl (E)-2-aminoazo-3-(5-benzyloxy-2-bromo-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-aminoazo-3-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(aminodiazenyl)-3-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-aminoazo-3-(5-benzoxy-2-bromo-4-methoxy-phenyl)acrylic acid methyl ester Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=C(C(=O)OC)N=NN)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C(\C(=O)OC)/N=NN)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18BrN3O4/c1-24-16-10-14(19)13(8-15(21-22-20)18(23)25-2)9-17(16)26-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,20,21)/b15-8+