2-[6-chloranyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-carbamoyl]-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-carbamoyl]-2-oxidanylidene-cyclohepta[b]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-[(2-ethoxy-2-oxo-ethyl)-methyl-carbamoyl]-2-oxo-cyclohepta[b]pyrrol-1-yl]acetic acid CAS Name: 2-[6-chloro-3-[[(2-ethoxy-2-oxoethyl)-methylamino]-oxomethyl]-2-oxo-1-cyclohepta[b]pyrrolyl]acetic acid IUPAC Name: 2-[6-chloro-3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-2-oxocyclohepta[b]pyrrol-1-yl]acetic acid Traditional Name: 2-[6-chloro-3-[(2-ethoxy-2-keto-ethyl)-methyl-carbamoyl]-2-keto-cyclohepta[b]pyrrol-1-yl]acetic acid Formula: C17H17ClN2O6 MolecularWeight: 380.77968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C(=O)C1=C2C=CC(=CC=C2N(C1=O)CC(=O)O)Cl

Isomeric SMILES

CCOC(=O)CN(C)C(=O)C1=C2C=CC(=CC=C2N(C1=O)CC(=O)O)Cl

InChI

InChI=1S/C17H17ClN2O6/c1-3-26-14(23)9-19(2)16(24)15-11-6-4-10(18)5-7-12(11)20(17(15)25)8-13(21)22/h4-7H,3,8-9H2,1-2H3,(H,21,22)