(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C=CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C16H15BrN2O5/c1-9(19)11(7-18)13(20)8-24-15(21)4-3-10-5-12(17)16(22)14(6-10)23-2/h3-6,11,19,22H,8H2,1-2H3/b4-3+,19-9?