3-[(2Z)-2-(6-nitro-2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(2Z)-2-(6-nitro-2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(2Z)-2-(6-nitro-2-oxo-4-sulfo-1-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(2Z)-2-(6-nitro-2-oxo-4-sulfo-1-naphthalenylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(2Z)-2-(6-nitro-2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(N'Z)-N'-(2-keto-6-nitro-4-sulfo-1-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C13H8N6O8S MolecularWeight: 408.30302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=CC(=O)C2=NNC3=NNC(=N3)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC\2=C(C=C1[N+](=O)[O-])C(=CC(=O)/C2=N\NC3=NNC(=N3)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H8N6O8S/c20-8-4-9(28(25,26)27)7-3-5(19(23)24)1-2-6(7)10(8)15-17-13-14-11(12(21)22)16-18-13/h1-4H,(H,21,22)(H,25,26,27)(H2,14,16,17,18)/b15-10-