3-[[3-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]indol-1-yl]methyl]benzoate

Systemtic Name: 3-[[3-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]indol-1-yl]methyl]benzoate Openeye Name: 3-[[3-[(E)-2-cyano-2-(4-nitrophenyl)vinyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]-1-indolyl]methyl]benzoate IUPAC Name: 3-[[3-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[(E)-2-cyano-2-(4-nitrophenyl)vinyl]indol-1-yl]methyl]benzoate Formula: C25H16N3O4- MolecularWeight: 422.41224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)[O-])C=C(C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)[O-])/C=C(/C#N)\C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O4/c26-14-20(18-8-10-22(11-9-18)28(31)32)13-21-16-27(24-7-2-1-6-23(21)24)15-17-4-3-5-19(12-17)25(29)30/h1-13,16H,15H2,(H,29,30)/p-1/b20-13-