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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[(2-methyl-4-nitro-phenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitro-anilino)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitroanilino)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitroanilino)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitro-anilino)acrylonitrile Formula: C17H12N4O3 MolecularWeight: 320.30218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C(\C#N)/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H12N4O3/c1-11-8-13(21(22)23)6-7-14(11)19-10-12(9-18)17-20-15-4-2-3-5-16(15)24-17/h2-8,10,19H,1H3/b12-10+