(E)-2-cyano-N-(2-methylphenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-methylphenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methylphenyl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methylphenyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-(o-tolyl)acrylamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)C(C)C)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)C(C)C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H19N3O3/c1-13(2)17-9-8-15(11-19(17)23(25)26)10-16(12-21)20(24)22-18-7-5-4-6-14(18)3/h4-11,13H,1-3H3,(H,22,24)/b16-10+