ethyl 3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-(4-methylsulfonyl-2-nitro-anilino)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methylsulfonyl-2-nitroanilino)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(4-mesyl-2-nitro-anilino)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H20N4O9S MolecularWeight: 480.4485

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O9S/c1-3-32-19(25)13-8-12(9-14(10-13)22(26)27)18(24)21-7-6-20-16-5-4-15(33(2,30)31)11-17(16)23(28)29/h4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,24)