2-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitro-phenyl)acrylonitrile Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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