(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H13N3O7 MolecularWeight: 359.29032

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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[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C16H13N3O7/c1-9(18)11(6-17)13(20)7-24-16(21)3-2-10-4-14-15(26-8-25-14)5-12(10)19(22)23/h2-5,11,18H,7-8H2,1H3/b3-2+,18-9?