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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-3-8(2)15-12(17)7-21-13(18)10-5-4-9(16(19)20)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,17)