2-[[(7Z)-7-[(2-methoxy-4-nitro-phenyl)hydrazinylidene]-8-oxidanylidene-3,6-disulfo-naphthalen-1-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(7Z)-7-[(2-methoxy-4-nitro-phenyl)hydrazinylidene]-8-oxidanylidene-3,6-disulfo-naphthalen-1-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(7Z)-7-[(2-methoxy-4-nitro-phenyl)hydrazono]-8-oxo-3,6-disulfo-1-naphthyl]carbamoyl]benzoic acid CAS Name: 2-[[[(7Z)-7-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-8-oxo-3,6-disulfo-1-naphthalenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(7Z)-7-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-8-oxo-3,6-disulfonaphthalen-1-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(7Z)-8-keto-7-[(2-methoxy-4-nitro-phenyl)hydrazono]-3,6-disulfo-1-naphthyl]carbamoyl]benzoic acid Formula: C25H18N4O13S2 MolecularWeight: 646.55942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC=CC=C4C(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC=CC=C4C(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C25H18N4O13S2/c1-42-19-10-13(29(34)35)6-7-17(19)27-28-22-20(44(39,40)41)9-12-8-14(43(36,37)38)11-18(21(12)23(22)30)26-24(31)15-4-2-3-5-16(15)25(32)33/h2-11,27H,1H3,(H,26,31)(H,32,33)(H,36,37,38)(H,39,40,41)/b28-22+