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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[(4-chloranyl-2-nitro-phenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(4-chloro-2-nitro-anilino)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(4-chloro-2-nitroanilino)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(4-chloro-2-nitroanilino)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(4-chloro-2-nitro-anilino)acrylonitrile Formula: C16H9ClN4O3 MolecularWeight: 340.72066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(=CNC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H9ClN4O3/c17-11-5-6-12(14(7-11)21(22)23)19-9-10(8-18)16-20-13-3-1-2-4-15(13)24-16/h1-7,9,19H/b10-9+