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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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