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

Systemtic Name: 3-methyl-4-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-12-10-13(19(24)25)4-6-16(12)20-18(23)15-11-14(22(26)27)5-7-17(15)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)(H,24,25)