N-(3-cyanophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzamide

Systemtic Name: N-(3-cyanophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzamide Openeye Name: N-(3-cyanophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzamide CAS Name: N-(3-cyanophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzamide IUPAC Name: N-(3-cyanophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzamide Traditional Name: N-(3-cyanophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-benzamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC12OCCO2)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c22-14-15-2-1-3-17(12-15)23-20(26)16-4-5-18(19(13-16)25(27)28)24-8-6-21(7-9-24)29-10-11-30-21/h1-5,12-13H,6-11H2,(H,23,26)