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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[(4-nitro-2-oxidanyl-phenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitro-anilino)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitroanilino)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitroanilino)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitro-anilino)acrylonitrile Formula: C16H10N4O4 MolecularWeight: 322.275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O4/c17-8-10(16-19-13-3-1-2-4-15(13)24-16)9-18-12-6-5-11(20(22)23)7-14(12)21/h1-7,9,18,21H/b10-9+