2-(carboxymethyl)-1-methyl-10-oxidanylidene-5H-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1-methyl-10-oxidanylidene-5H-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-1-methyl-10-oxo-5H-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-1-methyl-10-oxo-5H-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid IUPAC Name: 2-(carboxymethyl)-1-methyl-10-oxo-5H-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-10-keto-1-methyl-5H-[2]benzoxepino[4,3-b]pyrrole-3-carboxylic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=O)C3=CC=CC=C3CO2)C(=O)O)CC(=O)O

Isomeric SMILES

CN1C(=C(C2=C1C(=O)C3=CC=CC=C3CO2)C(=O)O)CC(=O)O

InChI

InChI=1S/C16H13NO6/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/h2-5H,6-7H2,1H3,(H,18,19)(H,21,22)