(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C=CC1=CC2=C(C(=C1)OC)OCCO2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/C1=CC2=C(C(=C1)OC)OCCO2

InChI

InChI=1S/C18H18N2O6/c1-11(20)13(9-19)14(21)10-26-17(22)4-3-12-7-15(23-2)18-16(8-12)24-5-6-25-18/h3-4,7-8,13,20H,5-6,10H2,1-2H3/b4-3+,20-11?