1-[[(4Z)-4-[(5-nitropyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid

Systemtic Name: 1-[[(4Z)-4-[(5-nitropyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid Openeye Name: 1-[[(4Z)-4-[(5-nitro-2-pyridyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid CAS Name: 1-[[(4Z)-4-[(5-nitro-2-pyridinyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]-1-propanesulfonic acid IUPAC Name: 1-[[(4Z)-4-[(5-nitropyridin-2-yl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]-propylamino]propane-1-sulfonic acid Traditional Name: 1-[[(4Z)-3-keto-4-[(5-nitro-2-pyridyl)hydrazono]cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=O)C(=NNC2=NC=C(C=C2)[N+](=O)[O-])C=C1)C(CC)S(=O)(=O)O

Isomeric SMILES

CCCN(C1=CC(=O)/C(=N\NC2=NC=C(C=C2)[N+](=O)[O-])/C=C1)C(CC)S(=O)(=O)O

InChI

InChI=1S/C17H21N5O6S/c1-3-9-21(17(4-2)29(26,27)28)12-5-7-14(15(23)10-12)19-20-16-8-6-13(11-18-16)22(24)25/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,18,20)(H,26,27,28)/b19-14-