tert-butyl N-[4-(2-azanyl-3-nitro-pyridin-4-yl)oxy-2-methylsulfanyl-phenyl]carbamate

Systemtic Name: tert-butyl N-[4-(2-azanyl-3-nitro-pyridin-4-yl)oxy-2-methylsulfanyl-phenyl]carbamate Openeye Name: tert-butyl N-[4-[(2-amino-3-nitro-4-pyridyl)oxy]-2-methylsulfanyl-phenyl]carbamate CAS Name: N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]-2-(methylthio)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-amino-3-nitropyridin-4-yl)oxy-2-methylsulfanylphenyl]carbamate Traditional Name: N-[4-[(2-amino-3-nitro-4-pyridyl)oxy]-2-(methylthio)phenyl]carbamic acid tert-butyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)OC2=C(C(=NC=C2)N)[N+](=O)[O-])SC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)OC2=C(C(=NC=C2)N)[N+](=O)[O-])SC

InChI

InChI=1S/C17H20N4O5S/c1-17(2,3)26-16(22)20-11-6-5-10(9-13(11)27-4)25-12-7-8-19-15(18)14(12)21(23)24/h5-9H,1-4H3,(H2,18,19)(H,20,22)