(E)-2-cyano-3-(2-methyl-4-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(2-methyl-4-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(2-methyl-4-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(2-methyl-4-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(2-methyl-4-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(2-methyl-4-nitro-phenyl)acrylic acid Formula: C11H8N2O4 MolecularWeight: 232.19222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O4/c1-7-4-10(13(16)17)3-2-8(7)5-9(6-12)11(14)15/h2-5H,1H3,(H,14,15)/b9-5+