methyl 3-nitro-4-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzoate Openeye Name: methyl 4-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-14(8-9-15-6-4-3-5-7-15)21-19(23)13-28-18-11-10-16(20(24)27-2)12-17(18)22(25)26/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,21,23)/t14-/m1/s1