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

Systemtic Name: 3-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxidanylidene-1H-pyridin-2-yl]ethenyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxo-1H-pyridin-2-yl]vinyl]-2-furyl]benzoic acid CAS Name: 3-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxo-1H-pyridin-2-yl]ethenyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[2-[5-cyano-4-(methoxymethyl)-3-nitro-6-oxo-1H-pyridin-2-yl]ethenyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[2-[5-cyano-6-keto-4-(methoxymethyl)-3-nitro-1H-pyridin-2-yl]vinyl]-2-furyl]benzoic acid Formula: C21H15N3O7 MolecularWeight: 421.3597

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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(=CC=C3)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O7/c1-30-11-16-15(10-22)20(25)23-17(19(16)24(28)29)7-5-14-6-8-18(31-14)12-3-2-4-13(9-12)21(26)27/h2-9H,11H2,1H3,(H,23,25)(H,26,27)