5-[5-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]carbonyl-1-(3-methoxypropyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-[5-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]carbonyl-1-(3-methoxypropyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[5-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzoyl]-1-(3-methoxypropyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[[5-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]-oxomethyl]-1-(3-methoxypropyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[5-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzoyl]-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile Traditional Name: 2-keto-5-[5-methoxy-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzoyl]-1-(3-methoxypropyl)nicotinonitrile Formula: C27H25N3O9 MolecularWeight: 535.5021

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)OC)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)OC)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C27H25N3O9/c1-35-7-3-6-29-13-18(8-17(12-28)27(29)32)25(31)23-11-22(36-2)4-5-24(23)38-15-20-10-21(30(33)34)9-19-14-37-16-39-26(19)20/h4-5,8-11,13H,3,6-7,14-16H2,1-2H3