4-nitrooxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: 4-nitrooxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: 4-nitrooxybutyl 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid 4-nitrooxybutyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C17H25NO5/c1-13(2)12-15-6-8-16(9-7-15)14(3)17(19)22-10-4-5-11-23-18(20)21/h6-9,13-14H,4-5,10-12H2,1-3H3