[2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-[[(1R)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-[[(1R)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C16H19ClN2O7 MolecularWeight: 386.78426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O7/c1-9(2)6-12(16(22)25-3)18-14(20)8-26-15(21)11-7-10(17)4-5-13(11)19(23)24/h4-5,7,9,12H,6,8H2,1-3H3,(H,18,20)/t12-/m1/s1