[3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy-2-oxidanylidene-propyl] 4-(nitrooxymethyl)benzoate

Systemtic Name: [3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy-2-oxidanylidene-propyl] 4-(nitrooxymethyl)benzoate Openeye Name: [3-[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]oxy-2-oxo-propyl] 4-(nitrooxymethyl)benzoate CAS Name: 4-(nitrooxymethyl)benzoic acid [3-[(2S)-2-(6-methoxy-2-naphthalenyl)-1-oxopropoxy]-2-oxopropyl] ester IUPAC Name: [3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy-2-oxopropyl] 4-(nitrooxymethyl)benzoate Traditional Name: 4-(nitrooxymethyl)benzoic acid [2-keto-3-[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]oxy-propyl] ester Formula: C25H23NO9 MolecularWeight: 481.45142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)COC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)COC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

InChI

InChI=1S/C25H23NO9/c1-16(19-7-8-21-12-23(32-2)10-9-20(21)11-19)24(28)33-14-22(27)15-34-25(29)18-5-3-17(4-6-18)13-35-26(30)31/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1