methyl 4-nitro-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 4-nitro-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-4-nitro-butanoate CAS Name: 4-nitro-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 4-nitro-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-nitro-butyric acid methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC[N+](=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CC[N+](=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16N2O6/c1-20-12(16)11(7-8-15(18)19)14-13(17)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)