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

Systemtic Name: 2-[2-[(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)carbonyl]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-ethyl-3-oxo-1,4-benzoxazine-6-carbonyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-oxomethyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(4-ethyl-3-oxo-1,4-benzoxazine-6-carbonyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-ethyl-3-keto-1,4-benzoxazine-6-carbonyl)-1H-indol-3-yl]acetic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C3=C(C4=CC=CC=C4N3)CC(=O)O

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C3=C(C4=CC=CC=C4N3)CC(=O)O

InChI

InChI=1S/C21H18N2O5/c1-2-23-16-9-12(7-8-17(16)28-11-18(23)24)21(27)20-14(10-19(25)26)13-5-3-4-6-15(13)22-20/h3-9,22H,2,10-11H2,1H3,(H,25,26)