(E)-N-[4-methoxy-3-(phenylmethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-methoxy-3-(phenylmethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(3-benzyl-4-methoxy-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[4-methoxy-3-(phenylmethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(3-benzyl-4-methoxyphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(3-benzyl-4-methoxy-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O6/c1-31-23-9-8-21(12-19(23)11-17-5-3-2-4-6-17)26-24(28)10-7-18-13-22(27(29)30)14-20-15-32-16-33-25(18)20/h2-10,12-14H,11,15-16H2,1H3,(H,26,28)/b10-7+