[2-[4-(2-nitrooxyethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-[4-(2-nitrooxyethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-[4-(2-nitrooxyethyl)piperazin-1-yl]-2-oxo-ethyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [2-[4-(2-nitrooxyethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-nitrooxyethyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [2-keto-2-[4-(2-nitrooxyethyl)piperazino]ethyl] ester Formula: C22H27N3O7 MolecularWeight: 445.46568

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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)N3CCN(CC3)CCO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)N3CCN(CC3)CCO[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7/c1-16(17-3-4-19-14-20(30-2)6-5-18(19)13-17)22(27)31-15-21(26)24-9-7-23(8-10-24)11-12-32-25(28)29/h3-6,13-14,16H,7-12,15H2,1-2H3/t16-/m0/s1