(2,3,6-trimethylphenyl) 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (2,3,6-trimethylphenyl) ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-12-4-5-13(2)18(14(12)3)26-17(22)10-11-20-19(23)15-6-8-16(9-7-15)21(24)25/h4-9H,10-11H2,1-3H3,(H,20,23)