ethyl 5-benzamido-2-[(E)-2-(6-nitroso-1,3-benzodioxol-5-yl)ethenyl]-6-oxidanylidene-pyran-3-carboxylate

Systemtic Name: ethyl 5-benzamido-2-[(E)-2-(6-nitroso-1,3-benzodioxol-5-yl)ethenyl]-6-oxidanylidene-pyran-3-carboxylate Openeye Name: ethyl 5-benzamido-2-[(E)-2-(6-nitroso-1,3-benzodioxol-5-yl)vinyl]-6-oxo-pyran-3-carboxylate CAS Name: 5-benzamido-2-[(E)-2-(6-nitroso-1,3-benzodioxol-5-yl)ethenyl]-6-oxo-3-pyrancarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzamido-2-[(E)-2-(6-nitroso-1,3-benzodioxol-5-yl)ethenyl]-6-oxopyran-3-carboxylate Traditional Name: 5-benzamido-6-keto-2-[(E)-2-(6-nitroso-1,3-benzodioxol-5-yl)vinyl]pyran-3-carboxylic acid ethyl ester Formula: C24H18N2O8 MolecularWeight: 462.40832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)C=CC3=CC4=C(C=C3N=O)OCO4

Isomeric SMILES

CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)/C=C/C3=CC4=C(C=C3N=O)OCO4

InChI

InChI=1S/C24H18N2O8/c1-2-31-23(28)16-11-18(25-22(27)14-6-4-3-5-7-14)24(29)34-19(16)9-8-15-10-20-21(33-13-32-20)12-17(15)26-30/h3-12H,2,13H2,1H3,(H,25,27)/b9-8+