4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(7-chloropiperonyloyl)amino]-3-methyl-benzoic acid Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H12ClNO5/c1-8-4-9(16(20)21)2-3-12(8)18-15(19)10-5-11(17)14-13(6-10)22-7-23-14/h2-6H,7H2,1H3,(H,18,19)(H,20,21)