methyl 3-methyl-4-nitro-2-[1-(phenylmethoxycarbonylamino)ethyl]butanoate

Systemtic Name: methyl 3-methyl-4-nitro-2-[1-(phenylmethoxycarbonylamino)ethyl]butanoate Openeye Name: methyl 2-[1-(benzyloxycarbonylamino)ethyl]-3-methyl-4-nitro-butanoate CAS Name: 3-methyl-4-nitro-2-[1-(phenylmethoxycarbonylamino)ethyl]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-4-nitro-2-[1-(phenylmethoxycarbonylamino)ethyl]butanoate Traditional Name: 2-[1-(benzyloxycarbonylamino)ethyl]-3-methyl-4-nitro-butyric acid methyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-11(9-18(21)22)14(15(19)23-3)12(2)17-16(20)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,20)