2-[6-bromanyl-3-[carboxymethyl(methyl)carbamoyl]-4,9-bis(oxidanylidene)cyclohepta[b]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[6-bromanyl-3-[carboxymethyl(methyl)carbamoyl]-4,9-bis(oxidanylidene)cyclohepta[b]pyridin-1-yl]ethanoic acid Openeye Name: 2-[6-bromo-3-[carboxymethyl(methyl)carbamoyl]-4,9-dioxo-cyclohepta[b]pyridin-1-yl]acetic acid CAS Name: 2-[6-bromo-3-[[carboxymethyl(methyl)amino]-oxomethyl]-4,9-dioxo-1-cyclohepta[b]pyridinyl]acetic acid IUPAC Name: 2-[6-bromo-3-[carboxymethyl(methyl)carbamoyl]-4,9-dioxocyclohepta[b]pyridin-1-yl]acetic acid Traditional Name: 2-[6-bromo-3-[carboxymethyl(methyl)carbamoyl]-4,9-diketo-cyclohepta[b]pyridin-1-yl]acetic acid Formula: C16H13BrN2O7 MolecularWeight: 425.18762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CN(C2=C(C1=O)C=C(C=CC2=O)Br)CC(=O)O

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CN(C2=C(C1=O)C=C(C=CC2=O)Br)CC(=O)O

InChI

InChI=1S/C16H13BrN2O7/c1-18(6-12(21)22)16(26)10-5-19(7-13(23)24)14-9(15(10)25)4-8(17)2-3-11(14)20/h2-5H,6-7H2,1H3,(H,21,22)(H,23,24)