4-[(1E,3Z)-1,3-dicyano-1-isocyano-4-(2-methyl-1H-indol-3-yl)buta-1,3-dien-2-yl]benzoic acid

Systemtic Name: 4-[(1E,3Z)-1,3-dicyano-1-isocyano-4-(2-methyl-1H-indol-3-yl)buta-1,3-dien-2-yl]benzoic acid Openeye Name: 4-[(Z,1E)-2-cyano-1-[cyano(isocyano)methylene]-3-(2-methyl-1H-indol-3-yl)allyl]benzoic acid CAS Name: 4-[(1E,3Z)-1,3-dicyano-1-isocyano-4-(2-methyl-1H-indol-3-yl)buta-1,3-dien-2-yl]benzoic acid IUPAC Name: 4-[(1E,3Z)-1,3-dicyano-1-isocyano-4-(2-methyl-1H-indol-3-yl)buta-1,3-dien-2-yl]benzoic acid Traditional Name: 4-[(Z,1E)-2-cyano-1-[cyano(isocyano)methylene]-3-(2-methyl-1H-indol-3-yl)allyl]benzoic acid Formula: C23H14N4O2 MolecularWeight: 378.38286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C=C(C#N)C(=C(C#N)[N+]#[C-])C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/C(=C(\C#N)/[N+]#[C-])/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H14N4O2/c1-14-19(18-5-3-4-6-20(18)27-14)11-17(12-24)22(21(13-25)26-2)15-7-9-16(10-8-15)23(28)29/h3-11,27H,1H3,(H,28,29)/b17-11+,22-21+