4-[(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-chloro-3-methoxy-1-oxo-isochromen-7-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(4-chloro-3-methoxy-1-oxo-2-benzopyran-7-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-chloro-3-methoxy-1-oxoisochromen-7-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(4-chloro-1-keto-3-methoxy-isochromen-7-yl)amino]-4-keto-butyric acid Formula: C14H12ClNO6 MolecularWeight: 325.70118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(C=C2)NC(=O)CCC(=O)O)C(=O)O1)Cl

Isomeric SMILES

COC1=C(C2=C(C=C(C=C2)NC(=O)CCC(=O)O)C(=O)O1)Cl

InChI

InChI=1S/C14H12ClNO6/c1-21-14-12(15)8-3-2-7(6-9(8)13(20)22-14)16-10(17)4-5-11(18)19/h2-3,6H,4-5H2,1H3,(H,16,17)(H,18,19)