4-nitrooxybutyl 4-oxidanylidene-4-(1,2,3,4-tetrahydroacridin-9-ylamino)butanoate

Systemtic Name: 4-nitrooxybutyl 4-oxidanylidene-4-(1,2,3,4-tetrahydroacridin-9-ylamino)butanoate Openeye Name: 4-nitrooxybutyl 4-oxo-4-(1,2,3,4-tetrahydroacridin-9-ylamino)butanoate CAS Name: 4-oxo-4-(1,2,3,4-tetrahydroacridin-9-ylamino)butanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 4-oxo-4-(1,2,3,4-tetrahydroacridin-9-ylamino)butanoate Traditional Name: 4-keto-4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyric acid 4-nitrooxybutyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=O)CCC(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=O)CCC(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c25-19(11-12-20(26)29-13-5-6-14-30-24(27)28)23-21-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)21/h1,3,7,9H,2,4-6,8,10-14H2,(H,22,23,25)