[2-(pyrrolidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate

Systemtic Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate Openeye Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-pyrrolidinylmethyl)phenyl]methyl ester IUPAC Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(pyrrolidinomethyl)benzyl] ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4/c22-19(15-7-9-18(10-8-15)21(23)24)25-14-17-6-2-1-5-16(17)13-20-11-3-4-12-20/h1-2,5-10H,3-4,11-14H2