2-[[4-[bis(azanyl)methylideneazaniumylsulfonyl]phenyl]iminomethyl]-4-bromanyl-6-nitro-phenolate

Systemtic Name: 2-[[4-[bis(azanyl)methylideneazaniumylsulfonyl]phenyl]iminomethyl]-4-bromanyl-6-nitro-phenolate Openeye Name: 4-bromo-2-[[4-(diaminomethyleneammoniosulfonyl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[[4-(diaminomethylideneammoniosulfonyl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[[4-(diaminomethylideneazaniumylsulfonyl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[[4-(diaminomethyleneammoniosulfonyl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C14H12BrN5O5S MolecularWeight: 442.24458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

C1=CC(=CC=C1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Br)S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C14H12BrN5O5S/c15-9-5-8(13(21)12(6-9)20(22)23)7-18-10-1-3-11(4-2-10)26(24,25)19-14(16)17/h1-7,21H,(H4,16,17,19)