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

Systemtic Name: 2-[4-oxidanylidene-5-(phenylmethyl)pyridazino[4,5-b]indol-3-yl]ethanoic acid Openeye Name: 2-(5-benzyl-4-oxo-pyridazino[4,5-b]indol-3-yl)acetic acid CAS Name: 2-[4-oxo-5-(phenylmethyl)-3-pyridazino[4,5-b]indolyl]acetic acid IUPAC Name: 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)acetic acid Traditional Name: 2-(5-benzyl-4-keto-pyridazin[4,5-b]indol-3-yl)acetic acid Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)O

InChI

InChI=1S/C19H15N3O3/c23-17(24)12-22-19(25)18-15(10-20-22)14-8-4-5-9-16(14)21(18)11-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,23,24)