(3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: (3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: (3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-benzoyl)amino]propanoate CAS Name: (3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]propanoate IUPAC Name: (3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoate Traditional Name: (3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-benzoyl)amino]propionate Formula: C20H21N2O7- MolecularWeight: 401.38994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-4-29-17-9-8-13(10-18(17)28-3)15(11-19(23)24)21-20(25)14-6-5-7-16(12(14)2)22(26)27/h5-10,15H,4,11H2,1-3H3,(H,21,25)(H,23,24)/p-1/t15-/m0/s1