methyl 4-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[4-[(1R)-1-methylpropyl]phenyl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[4-[(1R)-1-methylpropyl]phenyl]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C)C1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-4-13(2)14-5-7-15(8-6-14)18(22)12-27-19-10-9-16(20(23)26-3)11-17(19)21(24)25/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1