(8E)-4-(butanoylamino)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (8E)-4-(butanoylamino)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (8E)-4-(butanoylamino)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-naphthalene-2-sulfonic acid CAS Name: (8E)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-4-(1-oxobutylamino)-2-naphthalenesulfonic acid IUPAC Name: (8E)-4-(butanoylamino)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-2-sulfonic acid Traditional Name: (8E)-4-butyramido-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]naphthalene-2-sulfonic acid Formula: C21H20N4O9S2 MolecularWeight: 536.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C2C(=O)C=CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C)C2=CC(=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(=O)NC1=C2C(=O)C=C/C(=N\NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C)/C2=CC(=C1)S(=O)(=O)O

InChI

InChI=1S/C21H20N4O9S2/c1-3-4-20(27)22-17-11-13(36(32,33)34)10-14-15(7-8-18(26)21(14)17)23-24-16-6-5-12(25(28)29)9-19(16)35(2,30)31/h5-11,24H,3-4H2,1-2H3,(H,22,27)(H,32,33,34)/b23-15+