2-methoxy-5-[[(2-methyl-3,5-dinitro-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(2-methyl-3,5-dinitro-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-methyl-3,5-dinitro-benzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-methyl-3,5-dinitrobenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(2-methyl-3,5-dinitro-benzoyl)amino]methyl]benzoic acid Formula: C17H15N3O8 MolecularWeight: 389.3163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O8/c1-9-12(6-11(19(24)25)7-14(9)20(26)27)16(21)18-8-10-3-4-15(28-2)13(5-10)17(22)23/h3-7H,8H2,1-2H3,(H,18,21)(H,22,23)