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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

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