(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(5-nitro-2-oxidanyl-phenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(5-nitro-2-oxidanyl-phenyl)amino]prop-2-enenitrile Openeye Name: (E)-3-(2-hydroxy-5-nitro-anilino)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(2-hydroxy-5-nitroanilino)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(2-hydroxy-5-nitroanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-hydroxy-5-nitro-anilino)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CNC2=C(C=CC(=C2)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/NC2=C(C=CC(=C2)[N+](=O)[O-])O)/C#N

InChI

InChI=1S/C13H10N4O3S/c1-8-7-21-13(16-8)9(5-14)6-15-11-4-10(17(19)20)2-3-12(11)18/h2-4,6-7,15,18H,1H3/b9-6+