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

Systemtic Name: [(Z)-[(5-azanyl-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[(5-amino-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[(5-amino-3-methyl-1-pyrazolyl)-(3-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[(5-amino-3-methylpyrazol-1-yl)-(3-nitrophenyl)methylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[(5-amino-3-methyl-pyrazol-1-yl)-(3-nitrophenyl)methylene]amino] ester Formula: C18H17N5O5S MolecularWeight: 415.42308

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5S/c1-12-6-8-16(9-7-12)29(26,27)28-21-18(22-17(19)10-13(2)20-22)14-4-3-5-15(11-14)23(24)25/h3-11H,19H2,1-2H3/b21-18-