4-[3-(5-nitro-2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-(5-nitro-2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-(5-nitroindolin-1-yl)-3-oxo-propyl]benzonitrile CAS Name: 4-[3-(5-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-(5-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-(5-nitroindolin-1-yl)propyl]benzonitrile Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N3O3/c19-12-14-3-1-13(2-4-14)5-8-18(22)20-10-9-15-11-16(21(23)24)6-7-17(15)20/h1-4,6-7,11H,5,8-10H2