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

Systemtic Name: 2-methoxy-5-[[(3-methyl-4-nitro-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(3-methyl-4-nitro-benzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(3-methyl-4-nitrobenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(3-methyl-4-nitro-benzoyl)amino]methyl]benzoic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-10-7-12(4-5-14(10)19(23)24)16(20)18-9-11-3-6-15(25-2)13(8-11)17(21)22/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)