(2E,4E)-6-azanyl-3-chloranyl-5-cyano-2-[(2-methylphenyl)amino]-6-oxidanylidene-hexa-2,4-dienoic acid

Systemtic Name: (2E,4E)-6-azanyl-3-chloranyl-5-cyano-2-[(2-methylphenyl)amino]-6-oxidanylidene-hexa-2,4-dienoic acid Openeye Name: (2E,4E)-6-amino-3-chloro-5-cyano-2-(2-methylanilino)-6-oxo-hexa-2,4-dienoic acid CAS Name: (2E,4E)-6-amino-3-chloro-5-cyano-2-(2-methylanilino)-6-oxohexa-2,4-dienoic acid IUPAC Name: (2E,4E)-6-amino-3-chloro-5-cyano-2-(2-methylanilino)-6-oxohexa-2,4-dienoic acid Traditional Name: (2E,4E)-6-amino-3-chloro-5-cyano-6-keto-2-(o-toluidino)hexa-2,4-dienoic acid Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=C(C=C(C#N)C(=O)N)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N/C(=C(\C=C(/C#N)\C(=O)N)/Cl)/C(=O)O

InChI

InChI=1S/C14H12ClN3O3/c1-8-4-2-3-5-11(8)18-12(14(20)21)10(15)6-9(7-16)13(17)19/h2-6,18H,1H3,(H2,17,19)(H,20,21)/b9-6+,12-10+