ethyl N-[6-azanyl-5-nitro-4-[[(2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-5-nitro-4-[[(2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[[(1S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[[(2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[[(2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[[(1S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C17H21N5O5 MolecularWeight: 387.334392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)NC(C)C(C2=CC=CC=C2)O)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)N[C@@H](C)C([14C]2=[14CH][14CH]=[14CH][14CH]=[14CH]2)O)[N+](=O)[O-])N

InChI

InChI=1S/C17H21N5O5/c1-3-27-17(24)21-13-9-12(14(22(25)26)16(18)20-13)19-10(2)15(23)11-7-5-4-6-8-11/h4-10,15,23H,3H2,1-2H3,(H4,18,19,20,21,24)/t10-,15?/m0/s1/i4+2,5+2,6+2,7+2,8+2,11+2