ethyl (3S)-3-(4-ethoxyphenyl)-3-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: ethyl (3S)-3-(4-ethoxyphenyl)-3-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: ethyl (3S)-3-(4-ethoxyphenyl)-3-[(3-nitrobenzoyl)amino]propanoate CAS Name: (3S)-3-(4-ethoxyphenyl)-3-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-(4-ethoxyphenyl)-3-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (3S)-3-[(3-nitrobenzoyl)amino]-3-p-phenetyl-propionic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-3-27-17-10-8-14(9-11-17)18(13-19(23)28-4-2)21-20(24)15-6-5-7-16(12-15)22(25)26/h5-12,18H,3-4,13H2,1-2H3,(H,21,24)/t18-/m0/s1