[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxyethanoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxyethanoate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)COC

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)COC

InChI

InChI=1S/C13H16N2O7/c1-8(22-12(16)7-20-2)13(17)14-10-6-9(15(18)19)4-5-11(10)21-3/h4-6,8H,7H2,1-3H3,(H,14,17)/t8-/m0/s1