butyl 4-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: butyl 4-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: butyl 4-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]oxybenzoic acid butyl ester IUPAC Name: butyl 4-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethoxy]benzoic acid butyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)O[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-4-5-12-29-21(25)15-6-9-17(10-7-15)30-14(2)20(24)22-18-13-16(23(26)27)8-11-19(18)28-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,24)/t14-/m1/s1