5-[[3-[2-azanyl-3-cyano-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]phenyl]amino]-4-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[2-azanyl-3-cyano-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]phenyl]amino]-4-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[2-amino-3-cyano-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-oxo-pentanoic acid CAS Name: 5-[3-[2-amino-3-cyano-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-oxopentanoic acid IUPAC Name: 5-[3-[2-amino-3-cyano-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-oxopentanoic acid Traditional Name: 5-[3-[2-amino-3-cyano-6-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-keto-valeric acid Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CCC(=O)O)O)C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CCC(=O)O)O)C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N

InChI

InChI=1S/C23H20N4O5/c24-12-18-17(11-19(27-22(18)25)13-4-6-16(28)7-5-13)14-2-1-3-15(10-14)26-23(32)20(29)8-9-21(30)31/h1-7,10-11,20,27,29H,8-9,25H2,(H,26,32)(H,30,31)