[2-[[2-(diethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[2-(diethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[2-(diethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[[2-(diethylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H28N4O6 MolecularWeight: 420.45952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN(C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CN(C)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O6/c1-4-22(5-2)18(25)13-21(3)19(26)14-30-20(27)15-8-9-16(17(12-15)24(28)29)23-10-6-7-11-23/h8-9,12H,4-7,10-11,13-14H2,1-3H3