1-[(E)-(5-chloranyl-2-nitro-phenyl)methylideneamino]-3-oxidanyl-urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[(E)-(5-chloranyl-2-nitro-phenyl)methylideneamino]-3-oxidanyl-urea; 4-methylbenzenesulfonic acid Openeye Name: 1-[(E)-(5-chloro-2-nitro-phenyl)methyleneamino]-3-hydroxy-urea; 4-methylbenzenesulfonic acid CAS Name: 1-[(E)-(5-chloro-2-nitrophenyl)methylideneamino]-3-hydroxyurea; 4-methylbenzenesulfonic acid IUPAC Name: 1-[(E)-(5-chloro-2-nitrophenyl)methylideneamino]-3-hydroxyurea; 4-methylbenzenesulfonic acid Traditional Name: 1-[(E)-(5-chloro-2-nitro-benzylidene)amino]-3-hydroxy-urea; tosylic acid Formula: C15H15ClN4O7S MolecularWeight: 430.8202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)C=NNC(=O)NO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)/C=N/NC(=O)NO)[N+](=O)[O-]

InChI

InChI=1S/C8H7ClN4O4.C7H8O3S/c9-6-1-2-7(13(16)17)5(3-6)4-10-11-8(14)12-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,15H,(H2,11,12,14);2-5H,1H3,(H,8,9,10)/b10-4+;