(E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[4-(dimethylamino)-3-nitrophenyl]-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(dimethylamino)-3-nitrophenyl]-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-o-toluoyl-acrylonitrile Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H17N3O3/c1-13-6-4-5-7-16(13)19(23)15(12-20)10-14-8-9-17(21(2)3)18(11-14)22(24)25/h4-11H,1-3H3/b15-10+