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

Systemtic Name: sodium 5-[[3-[2-azanyl-3-cyano-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]phenyl]amino]-4-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: sodium 5-[3-[2-amino-3-cyano-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-oxo-pentanoate CAS Name: sodium 5-[3-[2-amino-3-cyano-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-oxopentanoate IUPAC Name: sodium 5-[3-[2-amino-3-cyano-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-oxopentanoate Traditional Name: sodium 5-[3-[2-amino-3-cyano-6-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-4-yl]anilino]-4-hydroxy-5-keto-valerate Formula: C23H19N4NaO5 MolecularWeight: 454.41053

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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.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CCC(=O)[O-])O)C2=CC(=C3C=CC(=O)C=C3)NC(=C2C#N)N.[Na+]

InChI

InChI=1S/C23H20N4O5.Na/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);/q;+1/p-1