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

Systemtic Name: (3-methoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3-methoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-methoxyphenyl)methyl ester IUPAC Name: (3-methoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid m-anisyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-25-16-6-4-5-14(11-16)13-26-19(22)15-7-8-17(18(12-15)21(23)24)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10,13H2,1H3