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

Systemtic Name: 1-(2-methoxyethyl)-5-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]carbonyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-(2-methoxyethyl)-5-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzoyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 1-(2-methoxyethyl)-5-[[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]-oxomethyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-(2-methoxyethyl)-5-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzoyl]-2-oxopyridine-3-carbonitrile Traditional Name: 2-keto-1-(2-methoxyethyl)-5-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzoyl]nicotinonitrile Formula: C25H21N3O8 MolecularWeight: 491.44954

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COCCN1C=C(C=C(C1=O)C#N)C(=O)C2=CC=CC=C2OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C25H21N3O8/c1-33-7-6-27-12-17(8-16(11-26)25(27)30)23(29)21-4-2-3-5-22(21)35-14-19-10-20(28(31)32)9-18-13-34-15-36-24(18)19/h2-5,8-10,12H,6-7,13-15H2,1H3