2-[(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)carbamoyl]benzoic acid Openeye Name: 2-[(4-chloro-3-methoxy-1-oxo-isochromen-7-yl)carbamoyl]benzoic acid CAS Name: 2-[[(4-chloro-3-methoxy-1-oxo-2-benzopyran-7-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(4-chloro-3-methoxy-1-oxoisochromen-7-yl)carbamoyl]benzoic acid Traditional Name: 2-[(4-chloro-1-keto-3-methoxy-isochromen-7-yl)carbamoyl]benzoic acid Formula: C18H12ClNO6 MolecularWeight: 373.74398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(=O)O1)Cl

Isomeric SMILES

COC1=C(C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(=O)O1)Cl

InChI

InChI=1S/C18H12ClNO6/c1-25-18-14(19)10-7-6-9(8-13(10)17(24)26-18)20-15(21)11-4-2-3-5-12(11)16(22)23/h2-8H,1H3,(H,20,21)(H,22,23)