(E)-2-(1-methylbenzimidazol-2-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-2-(1-methyl-2-benzimidazolyl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O2/c1-13(2)16-9-8-14(11-19(16)24(25)26)10-15(12-21)20-22-17-6-4-5-7-18(17)23(20)3/h4-11,13H,1-3H3/b15-10+