5-[(E)-[[3-(hydroxymethyl)-4-nitro-phenyl]-pyridin-3-yl-methylidene]amino]oxypentanoate

Systemtic Name: 5-[(E)-[[3-(hydroxymethyl)-4-nitro-phenyl]-pyridin-3-yl-methylidene]amino]oxypentanoate Openeye Name: 5-[(E)-[[3-(hydroxymethyl)-4-nitro-phenyl]-(3-pyridyl)methylene]amino]oxypentanoate CAS Name: 5-[(E)-[[3-(hydroxymethyl)-4-nitrophenyl]-(3-pyridinyl)methylidene]amino]oxypentanoate IUPAC Name: 5-[(E)-[[3-(hydroxymethyl)-4-nitrophenyl]-pyridin-3-ylmethylidene]amino]oxypentanoate Traditional Name: 5-[(E)-[(3-methylol-4-nitro-phenyl)-(3-pyridyl)methylene]amino]oxyvalerate Formula: C18H18N3O6- MolecularWeight: 372.35202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=NOCCCCC(=O)[O-])C2=CC(=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC(=CN=C1)/C(=N/OCCCCC(=O)[O-])/C2=CC(=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C18H19N3O6/c22-12-15-10-13(6-7-16(15)21(25)26)18(14-4-3-8-19-11-14)20-27-9-2-1-5-17(23)24/h3-4,6-8,10-11,22H,1-2,5,9,12H2,(H,23,24)/p-1/b20-18+