(E)-2-cyano-N-(2,6-dimethylphenyl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-hydroxy-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-hydroxy-3-nitro-phenyl)acrylamide Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H15N3O4/c1-11-4-3-5-12(2)17(11)20-18(23)14(10-19)8-13-6-7-16(22)15(9-13)21(24)25/h3-9,22H,1-2H3,(H,20,23)/b14-8+