4-[(6-chloranyl-3,4-dihydro-2H-chromen-3-yl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-chromen-3-yl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(6-chlorochromane-3-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(6-chlorochroman-3-carbonyl)amino]-3-methyl-benzoic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C18H16ClNO4/c1-10-6-11(18(22)23)2-4-15(10)20-17(21)13-7-12-8-14(19)3-5-16(12)24-9-13/h2-6,8,13H,7,9H2,1H3,(H,20,21)(H,22,23)