methyl 4-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxidanylidene-1H-pyridin-2-yl]ethenyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxidanylidene-1H-pyridin-2-yl]ethenyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxo-1H-pyridin-2-yl]vinyl]-2-furyl]benzoate CAS Name: 4-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxo-1H-pyridin-2-yl]ethenyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxo-1H-pyridin-2-yl]ethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[2-[5-cyano-6-keto-4-(methoxymethyl)-3-nitro-1H-pyridin-2-yl]vinyl]-2-furyl]benzoic acid methyl ester Formula: C22H17N3O7 MolecularWeight: 435.38628

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=O)NC(=C1[N+](=O)[O-])C=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

COCC1=C(C(=O)NC(=C1[N+](=O)[O-])C=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)C#N

InChI

InChI=1S/C22H17N3O7/c1-30-12-17-16(11-23)21(26)24-18(20(17)25(28)29)9-7-15-8-10-19(32-15)13-3-5-14(6-4-13)22(27)31-2/h3-10H,12H2,1-2H3,(H,24,26)