(E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(methylamino)-3-nitro-phenyl]acrylonitrile Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O2/c1-19-15-7-6-11(9-16(15)22(23)24)8-12(10-18)17-20-13-4-2-3-5-14(13)21-17/h2-9,19H,1H3,(H,20,21)/b12-8+