(3-methylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-methylphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: m-tolylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-methylbenzyl) ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-14-5-4-6-15(11-14)13-25-19(22)16-7-8-17(18(12-16)21(23)24)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10,13H2,1H3