[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H19N3O7 MolecularWeight: 389.35936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H19N3O7/c1-11(2)16(20-17(23)14-7-4-8-27-14)18(24)28-10-15(22)19-12-5-3-6-13(9-12)21(25)26/h3-9,11,16H,10H2,1-2H3,(H,19,22)(H,20,23)/t16-/m0/s1