(E)-2-(3-methoxyphenyl)carbonyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(3-methoxyphenyl)carbonyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(3-methoxybenzoyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-[(3-methoxyphenyl)-oxomethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(3-methoxybenzoyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-m-anisoyl-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C18H12N2O6 MolecularWeight: 352.29768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O6/c1-24-14-4-2-3-11(6-14)18(21)13(9-19)5-12-7-16-17(26-10-25-16)8-15(12)20(22)23/h2-8H,10H2,1H3/b13-5+