2-(3,5-dimethylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-15-11-16(2)13-18(12-15)27-9-10-28-21(24)17-5-6-19(20(14-17)23(25)26)22-7-3-4-8-22/h5-6,11-14H,3-4,7-10H2,1-2H3