[1-[4-(3-methoxy-3-oxidanylidene-propyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-[4-(3-methoxy-3-oxidanylidene-propyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[(isopropylamino)methyl]-2-[4-(3-methoxy-3-oxo-propyl)phenoxy]ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-[4-(3-methoxy-3-oxopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-[4-(3-methoxy-3-oxopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[(isopropylamino)methyl]-2-[4-(3-keto-3-methoxy-propyl)phenoxy]ethyl] ester Formula: C20H30N2O8 MolecularWeight: 426.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C20H30N2O8/c1-15(2)21-13-18(30-20(24)5-4-12-29-22(25)26)14-28-17-9-6-16(7-10-17)8-11-19(23)27-3/h6-7,9-10,15,18,21H,4-5,8,11-14H2,1-3H3