methyl 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[[(1R)-1-(p-tolyl)propyl]amino]ethoxy]benzoate CAS Name: 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[[(1R)-1-(p-tolyl)propyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-4-16(14-7-5-13(2)6-8-14)21-19(23)12-28-18-10-9-15(20(24)27-3)11-17(18)22(25)26/h5-11,16H,4,12H2,1-3H3,(H,21,23)/t16-/m1/s1