(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-[(3-methylsulfonyl-4-nitro-phenyl)amino]-oxidanylidene-azanium

Systemtic Name: (5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-[(3-methylsulfonyl-4-nitro-phenyl)amino]-oxidanylidene-azanium Openeye Name: (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-methylsulfonyl-4-nitro-anilino)-oxo-ammonium CAS Name: (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-methylsulfonyl-4-nitroanilino)-oxoammonium IUPAC Name: (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-methylsulfonyl-4-nitroanilino)-oxoazanium Traditional Name: keto-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(3-mesyl-4-nitro-anilino)ammonium Formula: C17H16N5O6S+ MolecularWeight: 418.40384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)[N+](=O)NC3=CC(=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)[N+](=O)NC3=CC(=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C17H15N5O6S/c1-11-16(17(23)20(18-11)13-6-4-3-5-7-13)21(24)19-12-8-9-14(22(25)26)15(10-12)29(2,27)28/h3-10H,1-2H3,(H-,18,19,23,24)/p+1