(E)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-[(3-chlorophenyl)methyl]-3-indolyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-[(3-chlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(3-chlorobenzyl)indol-3-yl]-2-(3-nitrobenzoyl)acrylonitrile Formula: C25H16ClN3O3 MolecularWeight: 441.86584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H16ClN3O3/c26-21-7-3-5-17(11-21)15-28-16-20(23-9-1-2-10-24(23)28)12-19(14-27)25(30)18-6-4-8-22(13-18)29(31)32/h1-13,16H,15H2/b19-12+