(E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)acrylamide Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6/c1-23-12-4-5-13(14(9-12)19(21)22)18-17(20)7-3-11-2-6-15-16(8-11)25-10-24-15/h2-9H,10H2,1H3,(H,18,20)/b7-3+