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

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7S/c1-3-28-18(23)13-7-9-14(10-8-13)19-17(22)12-20(29(2,26)27)15-5-4-6-16(11-15)21(24)25/h4-11H,3,12H2,1-2H3,(H,19,22)