2-[7-(carboxymethyloxy)-3-methoxycarbonyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl]ethanoic acid

Systemtic Name: 2-[7-(carboxymethyloxy)-3-methoxycarbonyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl]ethanoic acid Openeye Name: 2-[7-(carboxymethyloxy)-3-methoxycarbonyl-6-oxo-benzo[b][1,4]benzoxazepin-5-yl]acetic acid CAS Name: 2-[7-(carboxymethyloxy)-3-methoxycarbonyl-6-oxo-5-benzo[b][1,4]benzoxazepinyl]acetic acid IUPAC Name: 2-[7-(carboxymethyloxy)-3-methoxycarbonyl-6-oxobenzo[b][1,4]benzoxazepin-5-yl]acetic acid Traditional Name: 2-[3-carbomethoxy-7-(carboxymethyloxy)-6-keto-benzo[b][1,4]benzoxazepin-5-yl]acetic acid Formula: C19H15NO9 MolecularWeight: 401.3237

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C(C(=CC=C3)OCC(=O)O)C(=O)N2CC(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C(C(=CC=C3)OCC(=O)O)C(=O)N2CC(=O)O

InChI

InChI=1S/C19H15NO9/c1-27-19(26)10-5-6-12-11(7-10)20(8-15(21)22)18(25)17-13(28-9-16(23)24)3-2-4-14(17)29-12/h2-7H,8-9H2,1H3,(H,21,22)(H,23,24)