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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=CC3=C(C(=C(C(=O)N3)C#N)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=CC3=C(C(=C(C(=O)N3)C#N)COC)[N+](=O)[O-]

InChI

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