ethyl 3-methyl-4-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]benzoate CAS Name: 3-methyl-4-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=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)14-8-9-17(13(2)10-14)20-18(23)12-21(30(3,27)28)15-6-5-7-16(11-15)22(25)26/h5-11H,4,12H2,1-3H3,(H,20,23)