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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-5-10(2)16-14(19)9-23-15(20)11-6-7-12(17(3)4)13(8-11)18(21)22/h6-8,10H,5,9H2,1-4H3,(H,16,19)