3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 2-hydroxy-3-methyl-5-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-hydroxy-3-methyl-5-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoate Formula: C19H18N3O6- MolecularWeight: 384.36272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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