1-[bis(azanyl)methylidene]-3-(4-chloranyl-3-nitro-phenyl)urea; ethanesulfonic acid

Systemtic Name: 1-[bis(azanyl)methylidene]-3-(4-chloranyl-3-nitro-phenyl)urea; ethanesulfonic acid Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-(diaminomethylene)urea; ethanesulfonic acid CAS Name: 1-(4-chloro-3-nitrophenyl)-3-(diaminomethylidene)urea; ethanesulfonic acid IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-(diaminomethylidene)urea; ethanesulfonic acid Traditional Name: 1-(4-chloro-3-nitro-phenyl)-3-(diaminomethylene)urea; esylic acid Formula: C10H14ClN5O6S MolecularWeight: 367.76606

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=C(C=C1NC(=O)N=C(N)N)[N+](=O)[O-])Cl

Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=C(C=C1NC(=O)N=C(N)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H8ClN5O3.C2H6O3S/c9-5-2-1-4(3-6(5)14(16)17)12-8(15)13-7(10)11;1-2-6(3,4)5/h1-3H,(H5,10,11,12,13,15);2H2,1H3,(H,3,4,5)