[1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC

InChI

InChI=1S/C17H25N3O5/c1-10(2)19(11(3)4)16(21)12(5)25-17(22)14-9-13(20(23)24)7-8-15(14)18-6/h7-12,18H,1-6H3