ethyl (3S)-3-(4-ethoxyphenyl)-3-[(2-methyl-6-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: ethyl (3S)-3-(4-ethoxyphenyl)-3-[(2-methyl-6-nitro-phenyl)carbonylamino]propanoate Openeye Name: ethyl (3S)-3-(4-ethoxyphenyl)-3-[(2-methyl-6-nitro-benzoyl)amino]propanoate CAS Name: (3S)-3-(4-ethoxyphenyl)-3-[[(2-methyl-6-nitrophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-(4-ethoxyphenyl)-3-[(2-methyl-6-nitrobenzoyl)amino]propanoate Traditional Name: (3S)-3-[(2-methyl-6-nitro-benzoyl)amino]-3-p-phenetyl-propionic acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)OCC)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)OCC)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O6/c1-4-28-16-11-9-15(10-12-16)17(13-19(24)29-5-2)22-21(25)20-14(3)7-6-8-18(20)23(26)27/h6-12,17H,4-5,13H2,1-3H3,(H,22,25)/t17-/m0/s1