[2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-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] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[[(1R)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O8/c1-5-27-15-7-6-12(9-14(15)20(24)25)17(22)28-10-16(21)19-13(8-11(2)3)18(23)26-4/h6-7,9,11,13H,5,8,10H2,1-4H3,(H,19,21)/t13-/m1/s1