methyl N-[(2S)-1-(5-acetamido-2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: methyl N-[(2S)-1-(5-acetamido-2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: methyl N-[(1S)-1-[(5-acetamido-4-benzyloxy-2-nitro-phenyl)methyl]-2-hydroxy-ethyl]carbamate CAS Name: N-[(2S)-1-(5-acetamido-2-nitro-4-phenylmethoxyphenyl)-3-hydroxypropan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-1-(5-acetamido-2-nitro-4-phenylmethoxyphenyl)-3-hydroxypropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(5-acetamido-4-benzoxy-2-nitro-benzyl)-2-hydroxy-ethyl]carbamic acid methyl ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)CC(CO)NC(=O)OC)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)C[C@@H](CO)NC(=O)OC)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O7/c1-13(25)21-17-9-15(8-16(11-24)22-20(26)29-2)18(23(27)28)10-19(17)30-12-14-6-4-3-5-7-14/h3-7,9-10,16,24H,8,11-12H2,1-2H3,(H,21,25)(H,22,26)/t16-/m0/s1