[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c1-8(12(16)14-9-6-7-9)20-13(17)10-4-2-3-5-11(10)15(18)19/h2-5,8-9H,6-7H2,1H3,(H,14,16)