ethyl N-[5-nitro-6-(oxidanylamino)-4-(3-phenylpropylamino)pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[5-nitro-6-(oxidanylamino)-4-(3-phenylpropylamino)pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-(hydroxyamino)-5-nitro-4-(3-phenylpropylamino)-2-pyridyl]carbamate CAS Name: N-[6-(hydroxyamino)-5-nitro-4-(3-phenylpropylamino)-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-(hydroxyamino)-5-nitro-4-(3-phenylpropylamino)pyridin-2-yl]carbamate Traditional Name: N-[6-(hydroxyamino)-5-nitro-4-(3-phenylpropylamino)-2-pyridyl]carbamic acid ethyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)NCCCC2=CC=CC=C2)[N+](=O)[O-])NO

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)NCCCC2=CC=CC=C2)[N+](=O)[O-])NO

InChI

InChI=1S/C17H21N5O5/c1-2-27-17(23)20-14-11-13(15(22(25)26)16(19-14)21-24)18-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,24H,2,6,9-10H2,1H3,(H3,18,19,20,21,23)