3-methyl-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-methyl-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C(=O)O)O

InChI

InChI=1S/C19H19N3O6/c1-11-8-12(9-15(17(11)23)19(25)26)20-18(24)14-10-13(22(27)28)4-5-16(14)21-6-2-3-7-21/h4-5,8-10,23H,2-3,6-7H2,1H3,(H,20,24)(H,25,26)