tert-butyl N-[2-(2-azanyl-3-nitro-pyridin-4-yl)ethyl]-N-(4-chlorophenyl)carbamate

Systemtic Name: tert-butyl N-[2-(2-azanyl-3-nitro-pyridin-4-yl)ethyl]-N-(4-chlorophenyl)carbamate Openeye Name: tert-butyl N-[2-(2-amino-3-nitro-4-pyridyl)ethyl]-N-(4-chlorophenyl)carbamate CAS Name: N-[2-(2-amino-3-nitro-4-pyridinyl)ethyl]-N-(4-chlorophenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-amino-3-nitropyridin-4-yl)ethyl]-N-(4-chlorophenyl)carbamate Traditional Name: N-[2-(2-amino-3-nitro-4-pyridyl)ethyl]-N-(4-chlorophenyl)carbamic acid tert-butyl ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC1=C(C(=NC=C1)N)[N+](=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC1=C(C(=NC=C1)N)[N+](=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN4O4/c1-18(2,3)27-17(24)22(14-6-4-13(19)5-7-14)11-9-12-8-10-21-16(20)15(12)23(25)26/h4-8,10H,9,11H2,1-3H3,(H2,20,21)