[1-[4-(butanoylamino)-2-ethanoyl-phenoxy]-3-(propan-2-ylamino)propan-2-yl] nitrite

Systemtic Name: [1-[4-(butanoylamino)-2-ethanoyl-phenoxy]-3-(propan-2-ylamino)propan-2-yl] nitrite Openeye Name: [1-[[2-acetyl-4-(butanoylamino)phenoxy]methyl]-2-(isopropylamino)ethyl] nitrite CAS Name: nitrous acid [1-[2-acetyl-4-(1-oxobutylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-[2-acetyl-4-(butanoylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] nitrite Traditional Name: nitrous acid [1-[(2-acetyl-4-butyramido-phenoxy)methyl]-2-(isopropylamino)ethyl] ester Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)ON=O)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)ON=O)C(=O)C

InChI

InChI=1S/C18H27N3O5/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)22)25-11-15(26-21-24)10-19-12(2)3/h7-9,12,15,19H,5-6,10-11H2,1-4H3,(H,20,23)