2-[3-(carboxymethyl)-4-oxidanylidene-pyridazino[4,5-b]indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyl)-4-oxidanylidene-pyridazino[4,5-b]indol-5-yl]ethanoic acid Openeye Name: 2-[3-(carboxymethyl)-4-oxo-pyridazino[4,5-b]indol-5-yl]acetic acid CAS Name: 2-[3-(carboxymethyl)-4-oxo-5-pyridazino[4,5-b]indolyl]acetic acid IUPAC Name: 2-[3-(carboxymethyl)-4-oxopyridazino[4,5-b]indol-5-yl]acetic acid Traditional Name: 2-[3-(carboxymethyl)-4-keto-pyridazin[4,5-b]indol-5-yl]acetic acid Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2CC(=O)O)C(=O)N(N=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2CC(=O)O)C(=O)N(N=C3)CC(=O)O

InChI

InChI=1S/C14H11N3O5/c18-11(19)6-16-10-4-2-1-3-8(10)9-5-15-17(7-12(20)21)14(22)13(9)16/h1-5H,6-7H2,(H,18,19)(H,20,21)