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

Systemtic Name: 2-methyl-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: 2-methyl-3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 2-methyl-3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-methyl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-methyl-3-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoate Formula: C19H18N3O5- MolecularWeight: 368.36332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)[O-]

InChI

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