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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-10(3)15-13(17)8-21-14(18)11-5-6-12(16(19)20)9(2)7-11/h5-7,10H,4,8H2,1-3H3,(H,15,17)