5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(2E)-2-(3-methylsulfonyl-4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-[(N'E)-N'-(6-keto-3-mesyl-4-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H15N5O6S MolecularWeight: 417.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C(=CC2=O)[N+](=O)[O-])S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=C(C(=CC2=O)[N+](=O)[O-])S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O6S/c1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23/h3-9,16,19H,1-2H3/b18-12+