(Z)-2-cyano-N-(ethanoylcarbamoyl)-3-[(2-methyl-4-nitro-phenyl)amino]prop-2-enamide

Systemtic Name: (Z)-2-cyano-N-(ethanoylcarbamoyl)-3-[(2-methyl-4-nitro-phenyl)amino]prop-2-enamide Openeye Name: (Z)-N-(acetylcarbamoyl)-2-cyano-3-(2-methyl-4-nitro-anilino)prop-2-enamide CAS Name: (Z)-N-[acetamido(oxo)methyl]-2-cyano-3-(2-methyl-4-nitroanilino)-2-propenamide IUPAC Name: (Z)-N-(acetylcarbamoyl)-2-cyano-3-(2-methyl-4-nitroanilino)prop-2-enamide Traditional Name: (Z)-N-(acetylcarbamoyl)-2-cyano-3-(2-methyl-4-nitro-anilino)acrylamide Formula: C14H13N5O5 MolecularWeight: 331.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O5/c1-8-5-11(19(23)24)3-4-12(8)16-7-10(6-15)13(21)18-14(22)17-9(2)20/h3-5,7,16H,1-2H3,(H2,17,18,20,21,22)/b10-7-