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

Systemtic Name: 4-methyl-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: 4-methyl-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-methyl-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 4-methyl-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoate Formula: C19H18N3O5- MolecularWeight: 368.36332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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