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

Systemtic Name: (E)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)acrylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-8(2)11-4-3-9(6-12(11)15(18)19)5-10(7-14)13(16)17/h3-6,8H,1-2H3,(H,16,17)/b10-5+