[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[4-[(1R)-1-methylpropyl]phenyl]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-2-[4-[(1R)-1-methylpropyl]phenyl]ethyl] ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClNO5/c1-3-12(2)13-4-6-14(7-5-13)18(22)11-26-19(23)15-8-9-16(20)17(10-15)21(24)25/h4-10,12H,3,11H2,1-2H3/t12-/m1/s1