1-(3-nitrophenyl)ethyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: 1-(3-nitrophenyl)ethyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: 1-(3-nitrophenyl)ethyl 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid 1-(3-nitrophenyl)ethyl ester Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O8S/c1-11(12-4-3-5-13(8-12)19(22)23)28-17(21)10-18-15-7-6-14(29(2,26)27)9-16(15)20(24)25/h3-9,11,18H,10H2,1-2H3