4-[2-(7-azanyl-6-nitro-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-1'-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(7-azanyl-6-nitro-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-1'-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-(7-amino-6-nitro-4-oxo-spiro[chromane-2,4'-piperidine]-1'-yl)ethyl]benzonitrile CAS Name: 4-[2-(7-amino-6-nitro-4-oxo-1'-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl)ethyl]benzonitrile IUPAC Name: 4-[2-(7-amino-6-nitro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)ethyl]benzonitrile Traditional Name: 4-[2-(7-amino-4-keto-6-nitro-spiro[chroman-2,4'-piperidine]-1'-yl)ethyl]benzonitrile Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC(=O)C3=CC(=C(C=C3O2)N)[N+](=O)[O-])CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC12CC(=O)C3=CC(=C(C=C3O2)N)[N+](=O)[O-])CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4O4/c23-14-16-3-1-15(2-4-16)5-8-25-9-6-22(7-10-25)13-20(27)17-11-19(26(28)29)18(24)12-21(17)30-22/h1-4,11-12H,5-10,13,24H2