2-[(2-nitrophenyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2-nitrophenyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2-nitroanilino)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2-nitroanilino)ethyl ester IUPAC Name: 2-(2-nitroanilino)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-nitroanilino)ethyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5S/c1-12-6-8-13(9-7-12)23(20,21)22-11-10-16-14-4-2-3-5-15(14)17(18)19/h2-9,16H,10-11H2,1H3