5-(carboxymethyl)-7-(carboxymethyloxy)-6-oxidanylidene-benzo[b][1,4]benzoxazepine-3-carboxylic acid

Systemtic Name: 5-(carboxymethyl)-7-(carboxymethyloxy)-6-oxidanylidene-benzo[b][1,4]benzoxazepine-3-carboxylic acid Openeye Name: 5-(carboxymethyl)-7-(carboxymethyloxy)-6-oxo-benzo[b][1,4]benzoxazepine-3-carboxylic acid CAS Name: 5-(carboxymethyl)-7-(carboxymethyloxy)-6-oxo-3-benzo[b][1,4]benzoxazepinecarboxylic acid IUPAC Name: 5-(carboxymethyl)-7-(carboxymethyloxy)-6-oxobenzo[b][1,4]benzoxazepine-3-carboxylic acid Traditional Name: 5-(carboxymethyl)-7-(carboxymethyloxy)-6-keto-benzo[b][1,4]benzoxazepine-3-carboxylic acid Formula: C18H13NO9 MolecularWeight: 387.29712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC(=O)O)C(=O)N(C3=C(O2)C=CC(=C3)C(=O)O)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)OCC(=O)O)C(=O)N(C3=C(O2)C=CC(=C3)C(=O)O)CC(=O)O

InChI

InChI=1S/C18H13NO9/c20-14(21)7-19-10-6-9(18(25)26)4-5-11(10)28-13-3-1-2-12(16(13)17(19)24)27-8-15(22)23/h1-6H,7-8H2,(H,20,21)(H,22,23)(H,25,26)