(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[(4-methylphenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[(4-methylphenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(4-methylanilino)prop-2-enenitrile CAS Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(4-methylanilino)-2-propenenitrile IUPAC Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(4-methylanilino)prop-2-enenitrile Traditional Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(p-toluidino)acrylonitrile Formula: C17H12ClN3O MolecularWeight: 309.74968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C17H12ClN3O/c1-11-2-5-14(6-3-11)20-10-12(9-19)17-21-15-8-13(18)4-7-16(15)22-17/h2-8,10,20H,1H3/b12-10+