4-[3-(7-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-(7-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-(7-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxo-propyl]benzonitrile CAS Name: 4-[3-(7-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-(7-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-(7-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]benzonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=C(C1)C=C(C=C2)[N+](=O)[O-])C(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C2=C(C1)C=C(C=C2)[N+](=O)[O-])C(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N3O3/c21-14-16-6-4-15(5-7-16)8-11-20(24)22-12-2-1-3-17-13-18(23(25)26)9-10-19(17)22/h4-7,9-10,13H,1-3,8,11-12H2