(E)-2-(4-chlorophenyl)carbonyl-3-(4-ethyl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(4-ethyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(4-ethyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(4-ethyl-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(4-ethyl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(4-ethyl-3-nitro-phenyl)acrylonitrile Formula: C18H13ClN2O3 MolecularWeight: 340.76042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O3/c1-2-13-4-3-12(10-17(13)21(23)24)9-15(11-20)18(22)14-5-7-16(19)8-6-14/h3-10H,2H2,1H3/b15-9+