[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-7(2)15-12(17)8(3)21-13(18)10-6-9(16(19)20)4-5-11(10)14/h4-8H,14H2,1-3H3,(H,15,17)