2-(3-methylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 2-(3-methylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 2-(3-methylphenoxy)ethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-15-5-4-6-17(13-15)26-11-12-27-20(23)16-7-8-18(19(14-16)22(24)25)21-9-2-3-10-21/h4-8,13-14H,2-3,9-12H2,1H3