2-[5,6-dimethoxy-2-[(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)carbonyl]-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5,6-dimethoxy-2-[(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)carbonyl]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5,6-dimethoxy-2-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5,6-dimethoxy-2-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-oxomethyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5,6-dimethoxy-2-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(3-keto-4-methyl-1,4-benzoxazine-6-carbonyl)-5,6-dimethoxy-1H-indol-3-yl]acetic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C(=O)C3=C(C4=CC(=C(C=C4N3)OC)OC)CC(=O)O

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C(=O)C3=C(C4=CC(=C(C=C4N3)OC)OC)CC(=O)O

InChI

InChI=1S/C22H20N2O7/c1-24-15-6-11(4-5-16(15)31-10-19(24)25)22(28)21-13(8-20(26)27)12-7-17(29-2)18(30-3)9-14(12)23-21/h4-7,9,23H,8,10H2,1-3H3,(H,26,27)