[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylfuran-3-carboxylate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylfuran-3-carboxylate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic 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-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N2O7/c1-9-12(6-7-24-9)16(20)25-10(2)15(19)17-13-8-11(18(21)22)4-5-14(13)23-3/h4-8,10H,1-3H3,(H,17,19)/t10-/m0/s1