2-[2-cyano-5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[2-cyano-5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)pyrrol-1-yl]ethanoic acid Openeye Name: 2-[2-cyano-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)pyrrol-1-yl]acetic acid CAS Name: 2-[2-cyano-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-pyrrolyl]acetic acid IUPAC Name: 2-[2-cyano-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)pyrrol-1-yl]acetic acid Traditional Name: 2-[2-cyano-5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)pyrrol-1-yl]acetic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3CC(=O)O)C#N)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3CC(=O)O)C#N)NC(=O)O1)C

InChI

InChI=1S/C17H15N3O4/c1-17(2)12-7-10(3-5-13(12)19-16(23)24-17)14-6-4-11(8-18)20(14)9-15(21)22/h3-7H,9H2,1-2H3,(H,19,23)(H,21,22)