(E)-2-(1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-morpholinyl)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-morpholino-3-nitro-phenyl)acrylonitrile Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3/c21-13-15(20-22-16-3-1-2-4-17(16)23-20)11-14-5-6-18(19(12-14)25(26)27)24-7-9-28-10-8-24/h1-6,11-12H,7-10H2,(H,22,23)/b15-11+