(Z)-2-(1H-benzimidazol-2-yl)-3-[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]prop-2-enenitrile Openeye Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(4-isopentyloxy-5-methoxy-2-nitro-phenyl)prop-2-enenitrile CAS Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(4-isoamoxy-5-methoxy-2-nitro-phenyl)acrylonitrile Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H22N4O4/c1-14(2)8-9-30-21-12-19(26(27)28)15(11-20(21)29-3)10-16(13-23)22-24-17-6-4-5-7-18(17)25-22/h4-7,10-12,14H,8-9H2,1-3H3,(H,24,25)/b16-10-