ethyl 2-methyl-3-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-methyl-3-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-methyl-3-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]benzoate CAS Name: 2-methyl-3-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)C

InChI

InChI=1S/C19H21N3O7S/c1-4-29-19(24)16-9-6-10-17(13(16)2)20-18(23)12-21(30(3,27)28)14-7-5-8-15(11-14)22(25)26/h5-11H,4,12H2,1-3H3,(H,20,23)