[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/c1-7(11(17)15-13(19)14-2)23-12(18)9-6-8(16(20)21)4-5-10(9)22-3/h4-7H,1-3H3,(H2,14,15,17,19)/t7-/m1/s1