(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(2-methyl-1H-indol-3-yl)carbonyl]prop-2-enenitrile

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(2-methyl-1H-indol-3-yl)carbonyl]prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methyl-1H-indole-3-carbonyl)acrylonitrile Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CC4=C(C(=C3)OC)OCO4)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC4=C(C(=C3)OC)OCO4)/C#N

InChI

InChI=1S/C21H16N2O4/c1-12-19(15-5-3-4-6-16(15)23-12)20(24)14(10-22)7-13-8-17(25-2)21-18(9-13)26-11-27-21/h3-9,23H,11H2,1-2H3/b14-7+