2-[(7-butanoyloxy-6-chloranyl-2-oxidanylidene-chromen-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(7-butanoyloxy-6-chloranyl-2-oxidanylidene-chromen-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-butanoyloxy-6-chloro-2-oxo-chromene-3-carbonyl)amino]acetic acid CAS Name: 2-[[[6-chloro-2-oxo-7-(1-oxobutoxy)-1-benzopyran-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-butanoyloxy-6-chloro-2-oxochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(7-butyryloxy-6-chloro-2-keto-chromene-3-carbonyl)amino]acetic acid Formula: C16H14ClNO7 MolecularWeight: 367.73786

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)C(=O)NCC(=O)O)Cl

Isomeric SMILES

CCCC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)C(=O)NCC(=O)O)Cl

InChI

InChI=1S/C16H14ClNO7/c1-2-3-14(21)24-12-6-11-8(5-10(12)17)4-9(16(23)25-11)15(22)18-7-13(19)20/h4-6H,2-3,7H2,1H3,(H,18,22)(H,19,20)