(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylamide Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H15N3O7/c1-27-17-8-11(7-14(18(17)23)22(25)26)6-12(10-20)19(24)21-13-2-3-15-16(9-13)29-5-4-28-15/h2-3,6-9,23H,4-5H2,1H3,(H,21,24)/b12-6+