[(E)-4-nitrooxybut-2-enyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [(E)-4-nitrooxybut-2-enyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [(E)-4-nitrooxybut-2-enyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [(E)-4-nitrooxybut-2-enyl] ester IUPAC Name: [(E)-4-nitrooxybut-2-enyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [(E)-4-nitrooxybut-2-enyl] ester Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC=CCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h3-8,11-13H,9-10H2,1-2H3/b4-3+/t13-/m0/s1