2-[(2,4-dinitrophenyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2,4-dinitroanilino)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2,4-dinitroanilino)ethyl ester IUPAC Name: 2-(2,4-dinitroanilino)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2,4-dinitroanilino)ethyl ester Formula: C15H15N3O7S MolecularWeight: 381.3605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O7S/c1-11-2-5-13(6-3-11)26(23,24)25-9-8-16-14-7-4-12(17(19)20)10-15(14)18(21)22/h2-7,10,16H,8-9H2,1H3