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

Systemtic Name: (2,3,6-trimethylphenyl) 3-[(2-nitrophenyl)amino]propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(2-nitroanilino)propanoate CAS Name: 3-(2-nitroanilino)propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(2-nitroanilino)propanoate Traditional Name: 3-(2-nitroanilino)propionic acid (2,3,6-trimethylphenyl) ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C18H20N2O4/c1-12-8-9-13(2)18(14(12)3)24-17(21)10-11-19-15-6-4-5-7-16(15)20(22)23/h4-9,19H,10-11H2,1-3H3