4-nitrooxybutyl (2S)-2-(5-bromanyl-6-methoxy-naphthalen-2-yl)propanoate

Systemtic Name: 4-nitrooxybutyl (2S)-2-(5-bromanyl-6-methoxy-naphthalen-2-yl)propanoate Openeye Name: 4-nitrooxybutyl (2S)-2-(5-bromo-6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(5-bromo-6-methoxy-2-naphthalenyl)propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2S)-2-(5-bromo-6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(5-bromo-6-methoxy-2-naphthyl)propionic acid 4-nitrooxybutyl ester Formula: C18H20BrNO6 MolecularWeight: 426.2585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=C(C=C2)OC)Br)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C(=C(C=C2)OC)Br)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C18H20BrNO6/c1-12(18(21)25-9-3-4-10-26-20(22)23)13-5-7-15-14(11-13)6-8-16(24-2)17(15)19/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m0/s1