(E)-2-cyano-3-(6-nitro-2-oxidanyl-naphthalen-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(6-nitro-2-oxidanyl-naphthalen-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2-hydroxy-6-nitro-1-naphthyl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2-hydroxy-6-nitro-1-naphthalenyl)-N-(1,3,5-trimethyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2-hydroxy-6-nitronaphthalen-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2-hydroxy-6-nitro-1-naphthyl)-N-(1,3,5-trimethylpyrazol-4-yl)acrylamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(=CC2=C(C=CC3=C2C=CC(=C3)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)/C(=C/C2=C(C=CC3=C2C=CC(=C3)[N+](=O)[O-])O)/C#N

InChI

InChI=1S/C20H17N5O4/c1-11-19(12(2)24(3)23-11)22-20(27)14(10-21)9-17-16-6-5-15(25(28)29)8-13(16)4-7-18(17)26/h4-9,26H,1-3H3,(H,22,27)/b14-9+