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

Systemtic Name: (E)-3-(3-azido-4-methyl-phenyl)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(3-azido-4-methyl-phenyl)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-(3-azido-4-methylphenyl)-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(3-azido-4-methylphenyl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(3-azido-4-methyl-phenyl)-2-cyano-acrylic acid Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O2/c1-7-2-3-8(5-10(7)14-15-13)4-9(6-12)11(16)17/h2-5H,1H3,(H,16,17)/b9-4+