ethyl 2-[methylsulfonyl-(3-nitrophenyl)amino]propanoate

Systemtic Name: ethyl 2-[methylsulfonyl-(3-nitrophenyl)amino]propanoate Openeye Name: ethyl 2-(N-methylsulfonyl-3-nitro-anilino)propanoate CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(N-methylsulfonyl-3-nitroanilino)propanoate Traditional Name: 2-(N-mesyl-3-nitro-anilino)propionic acid ethyl ester Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(C)N(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C12H16N2O6S/c1-4-20-12(15)9(2)13(21(3,18)19)10-6-5-7-11(8-10)14(16)17/h5-9H,4H2,1-3H3