[(Z)-[1-azanyl-2-(phenylsulfonyl)ethylidene]amino] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [(Z)-[1-azanyl-2-(phenylsulfonyl)ethylidene]amino] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [(Z)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [(Z)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] ester IUPAC Name: [(Z)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [(Z)-(1-amino-2-besyl-ethylidene)amino] ester Formula: C15H15N3O7S2 MolecularWeight: 413.4255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O/N=C(/CS(=O)(=O)C2=CC=CC=C2)\N

InChI

InChI=1S/C15H15N3O7S2/c1-11-7-8-12(18(19)20)9-14(11)27(23,24)25-17-15(16)10-26(21,22)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H2,16,17)