5-[(Z)-[[3-(dimethoxymethyl)-4-nitro-phenyl]-pyridin-3-yl-methylidene]amino]oxypentanoic acid

Systemtic Name: 5-[(Z)-[[3-(dimethoxymethyl)-4-nitro-phenyl]-pyridin-3-yl-methylidene]amino]oxypentanoic acid Openeye Name: 5-[(Z)-[[3-(dimethoxymethyl)-4-nitro-phenyl]-(3-pyridyl)methylene]amino]oxypentanoic acid CAS Name: 5-[(Z)-[[3-(dimethoxymethyl)-4-nitrophenyl]-(3-pyridinyl)methylidene]amino]oxypentanoic acid IUPAC Name: 5-[(Z)-[[3-(dimethoxymethyl)-4-nitrophenyl]-pyridin-3-ylmethylidene]amino]oxypentanoic acid Traditional Name: 5-[(Z)-[[3-(dimethoxymethyl)-4-nitro-phenyl]-(3-pyridyl)methylene]amino]oxyvaleric acid Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7/c1-28-20(29-2)16-12-14(8-9-17(16)23(26)27)19(15-6-5-10-21-13-15)22-30-11-4-3-7-18(24)25/h5-6,8-10,12-13,20H,3-4,7,11H2,1-2H3,(H,24,25)/b22-19-