(4-methoxycarbonylphenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-methoxycarbonylphenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-methoxycarbonylphenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-carbomethoxyphenyl) ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6/c1-26-18(22)13-4-7-15(8-5-13)27-19(23)14-6-9-16(17(12-14)21(24)25)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3