(Z)-2-(3-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-(3-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (Z)-2-(m-tolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (Z)-2-(3-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (Z)-2-(3-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (Z)-2-(m-tolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N

InChI

InChI=1S/C17H12N2O4/c1-11-3-2-4-12(5-11)14(9-18)6-13-7-16-17(23-10-22-16)8-15(13)19(20)21/h2-8H,10H2,1H3/b14-6+