2-(carboxymethyl)-1-methyl-10-oxidanylidene-9a,10a-dihydro-3aH-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1-methyl-10-oxidanylidene-9a,10a-dihydro-3aH-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-1-methyl-10-oxo-9a,10a-dihydro-3aH-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-1-methyl-10-oxo-9a,10a-dihydro-3aH-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid IUPAC Name: 2-(carboxymethyl)-1-methyl-10-oxo-9a,10a-dihydro-3aH-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-10-keto-1-methyl-9a,10a-dihydro-3aH-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid Formula: C16H15NO6 MolecularWeight: 317.2934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=C1CC(=O)O)C(=O)O)OC=C3C=CC=CC3C2=O

Isomeric SMILES

CN1C2C(C(=C1CC(=O)O)C(=O)O)OC=C3C=CC=CC3C2=O

InChI

InChI=1S/C16H15NO6/c1-17-10(6-11(18)19)12(16(21)22)15-13(17)14(20)9-5-3-2-4-8(9)7-23-15/h2-5,7,9,13,15H,6H2,1H3,(H,18,19)(H,21,22)