[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(2-furoylamino)propionic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H19N3O7 MolecularWeight: 389.35936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C(C)NC(=O)C2=CC=CO2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H19N3O7/c1-10-7-13(14(21(25)26)8-11(10)2)20-16(22)9-28-18(24)12(3)19-17(23)15-5-4-6-27-15/h4-8,12H,9H2,1-3H3,(H,19,23)(H,20,22)/t12-/m0/s1