propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[(4-methyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[(4-methyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-3-[(4-methyl-3-nitro-benzoyl)amino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrobenzoyl)amino]propanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[(4-methyl-3-nitro-benzoyl)amino]propionic acid isopropyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC(=O)OC(C)C)C2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CC(=O)OC(C)C)C2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-13(2)29-20(24)12-18(15-7-9-17(28-4)10-8-15)22-21(25)16-6-5-14(3)19(11-16)23(26)27/h5-11,13,18H,12H2,1-4H3,(H,22,25)/t18-/m0/s1