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

Systemtic Name: ethyl N-[6-azanyl-5-nitro-4-[(1-oxidanyl-1-phenyl-butan-2-yl)amino]pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[1-[hydroxy(phenyl)methyl]propylamino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[(1-hydroxy-1-phenylbutan-2-yl)amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[(1-hydroxy-1-phenylbutan-2-yl)amino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[1-[hydroxy(phenyl)methyl]propylamino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)O)NC2=CC(=NC(=C2[N+](=O)[O-])N)NC(=O)OCC

Isomeric SMILES

CCC(C(C1=CC=CC=C1)O)NC2=CC(=NC(=C2[N+](=O)[O-])N)NC(=O)OCC

InChI

InChI=1S/C18H23N5O5/c1-3-12(16(24)11-8-6-5-7-9-11)20-13-10-14(22-18(25)28-4-2)21-17(19)15(13)23(26)27/h5-10,12,16,24H,3-4H2,1-2H3,(H4,19,20,21,22,25)