3-chloranyl-4-methoxy-5-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[(4-methyl-3-nitro-benzoyl)amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[(4-methyl-3-nitro-benzoyl)amino]benzoic acid Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(=O)O)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC(=C2)C(=O)O)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O6/c1-8-3-4-9(7-13(8)19(23)24)15(20)18-12-6-10(16(21)22)5-11(17)14(12)25-2/h3-7H,1-2H3,(H,18,20)(H,21,22)