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

Systemtic Name: 3-[[4-[(4-nitropyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid Openeye Name: 3-[[4-[(4-nitro-2-pyridyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid CAS Name: 3-[[4-[(4-nitro-2-pyridinyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]-1-propanesulfonic acid IUPAC Name: 3-[[4-[(4-nitropyridin-2-yl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]-propylamino]propane-1-sulfonic acid Traditional Name: 3-[[3-keto-4-[(4-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(CCCS(=O)(=O)O)C1=CC(=O)C(=NNC2=NC=CC(=C2)[N+](=O)[O-])C=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O6S/c1-2-8-21(9-3-10-29(26,27)28)13-4-5-15(16(23)11-13)19-20-17-12-14(22(24)25)6-7-18-17/h4-7,11-12H,2-3,8-10H2,1H3,(H,18,20)(H,26,27,28)