[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-14(19(24)21-16-7-3-2-4-8-16)28-20(25)15-9-10-17(18(13-15)23(26)27)22-11-5-6-12-22/h9-10,13-14,16H,2-8,11-12H2,1H3,(H,21,24)