4-[(4Z)-4-[(2,4-dinitrophenyl)methylidene]-2,3-dihydroquinolin-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(4Z)-4-[(2,4-dinitrophenyl)methylidene]-2,3-dihydroquinolin-1-yl]butane-1-sulfonic acid Openeye Name: 4-[(4Z)-4-[(2,4-dinitrophenyl)methylene]-2,3-dihydroquinolin-1-yl]butane-1-sulfonic acid CAS Name: 4-[(4Z)-4-[(2,4-dinitrophenyl)methylidene]-2,3-dihydroquinolin-1-yl]-1-butanesulfonic acid IUPAC Name: 4-[(4Z)-4-[(2,4-dinitrophenyl)methylidene]-2,3-dihydroquinolin-1-yl]butane-1-sulfonic acid Traditional Name: 4-[(4Z)-4-(2,4-dinitrobenzylidene)-2,3-dihydroquinolin-1-yl]butane-1-sulfonic acid Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2C1=CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCCCS(=O)(=O)O

Isomeric SMILES

C\1CN(C2=CC=CC=C2/C1=C\C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCCCS(=O)(=O)O

InChI

InChI=1S/C20H21N3O7S/c24-22(25)17-8-7-16(20(14-17)23(26)27)13-15-9-11-21(10-3-4-12-31(28,29)30)19-6-2-1-5-18(15)19/h1-2,5-8,13-14H,3-4,9-12H2,(H,28,29,30)/b15-13-