[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O7 MolecularWeight: 423.80442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7/c1-10(2)16(21-17(24)14-4-3-7-28-14)18(25)29-9-15(23)20-12-8-11(19)5-6-13(12)22(26)27/h3-8,10,16H,9H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1