(E)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)acrylamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(=CC2=CC(=C(C=C2)C(C)C)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)/C(=C/C2=CC(=C(C=C2)C(C)C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H20ClN3O4/c1-12(2)16-6-5-14(9-19(16)25(27)28)8-15(11-23)21(26)24-18-7-13(3)17(22)10-20(18)29-4/h5-10,12H,1-4H3,(H,24,26)/b15-8+