[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-5-12(6-2)17-15(20)10-24-16(21)11-7-8-13(18(3)4)14(9-11)19(22)23/h7-9,12H,5-6,10H2,1-4H3,(H,17,20)