7-[3-methyl-4-[(2E)-2-(5-nitro-6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-1-yl]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[3-methyl-4-[(2E)-2-(5-nitro-6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-1-yl]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[3-methyl-4-[(2E)-2-(5-nitro-6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-oxo-4H-pyrazol-1-yl]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[3-methyl-4-[(2E)-2-(5-nitro-6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[3-methyl-4-[(2E)-2-(5-nitro-6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[5-keto-4-[(N'E)-N'-(6-keto-5-nitro-3-sulfo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-methyl-2-pyrazolin-1-yl]naphthalene-2-sulfonic acid Formula: C20H15N5O11S2 MolecularWeight: 565.49

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=C(C2=O)[N+](=O)[O-])S(=O)(=O)O)C3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=C(C=C(C2=O)[N+](=O)[O-])S(=O)(=O)O)C3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O

InChI

InChI=1S/C20H15N5O11S2/c1-9-18(22-21-15-6-13(38(34,35)36)7-16(19(15)27)25(29)30)20(28)24(23-9)11-2-3-14-10(4-11)5-12(8-17(14)26)37(31,32)33/h2-8,18,22,26H,1H3,(H,31,32,33)(H,34,35,36)/b21-15+