[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c24-19(21-13-15-6-2-1-3-7-15)14-28-20(25)16-8-9-17(18(12-16)23(26)27)22-10-4-5-11-22/h8-9,12,15H,1-7,10-11,13-14H2,(H,21,24)