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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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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)OCCCO2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H18N2O5/c1-12(20)14(10-19)15(21)11-25-18(22)6-4-13-3-5-16-17(9-13)24-8-2-7-23-16/h3-6,9,14,20H,2,7-8,11H2,1H3/b6-4+,20-12?