2-[3-(1H-benzimidazol-2-yl)propylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(1H-benzimidazol-2-yl)propylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(1H-benzimidazol-2-yl)propylamino]-5-nitro-benzonitrile CAS Name: 2-[3-(1H-benzimidazol-2-yl)propylamino]-5-nitrobenzonitrile IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)propylamino]-5-nitrobenzonitrile Traditional Name: 2-[3-(1H-benzimidazol-2-yl)propylamino]-5-nitro-benzonitrile Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H15N5O2/c18-11-12-10-13(22(23)24)7-8-14(12)19-9-3-6-17-20-15-4-1-2-5-16(15)21-17/h1-2,4-5,7-8,10,19H,3,6,9H2,(H,20,21)