[2-[ethyl(2-nitrooxyethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-[ethyl(2-nitrooxyethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-[ethyl(2-nitrooxyethyl)amino]-2-oxo-ethyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [2-[ethyl(2-nitrooxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(2-nitrooxyethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [2-[ethyl(2-nitrooxyethyl)amino]-2-keto-ethyl] ester Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO[N+](=O)[O-])C(=O)COC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC

Isomeric SMILES

CCN(CCO[N+](=O)[O-])C(=O)COC(=O)[C@@H](C)C1=CC2=C(C=C1)C=C(C=C2)OC

InChI

InChI=1S/C20H24N2O7/c1-4-21(9-10-29-22(25)26)19(23)13-28-20(24)14(2)15-5-6-17-12-18(27-3)8-7-16(17)11-15/h5-8,11-12,14H,4,9-10,13H2,1-3H3/t14-/m0/s1