[(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[(5-acetamido-3-methyl-1-pyrazolyl)-(3-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[(5-acetamido-3-methylpyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[(5-acetamido-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino] ester Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N3C(=CC(=N3)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C2=CC(=CC=C2)[N+](=O)[O-])\N3C(=CC(=N3)C)NC(=O)C

InChI

InChI=1S/C20H19N5O6S/c1-13-7-9-18(10-8-13)32(29,30)31-23-20(16-5-4-6-17(12-16)25(27)28)24-19(21-15(3)26)11-14(2)22-24/h4-12H,1-3H3,(H,21,26)/b23-20-