ethyl N-[6-azanyl-5-nitro-4-(3-oxidanylheptan-2-ylamino)pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-5-nitro-4-(3-oxidanylheptan-2-ylamino)pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[(2-hydroxy-1-methyl-hexyl)amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-(3-hydroxyheptan-2-ylamino)-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-(3-hydroxyheptan-2-ylamino)-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[(2-hydroxy-1-methyl-hexyl)amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C15H25N5O5 MolecularWeight: 355.3895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)NC1=CC(=NC(=C1[N+](=O)[O-])N)NC(=O)OCC)O

Isomeric SMILES

CCCCC(C(C)NC1=CC(=NC(=C1[N+](=O)[O-])N)NC(=O)OCC)O

InChI

InChI=1S/C15H25N5O5/c1-4-6-7-11(21)9(3)17-10-8-12(19-15(22)25-5-2)18-14(16)13(10)20(23)24/h8-9,11,21H,4-7H2,1-3H3,(H4,16,17,18,19,22)