ethyl N-[6-azanyl-4-[[3-(4-chlorophenyl)-2-oxidanyl-butyl]amino]-5-nitro-pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-4-[[3-(4-chlorophenyl)-2-oxidanyl-butyl]amino]-5-nitro-pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[[3-(4-chlorophenyl)-2-hydroxy-butyl]amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[[3-(4-chlorophenyl)-2-hydroxybutyl]amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[[3-(4-chlorophenyl)-2-hydroxybutyl]amino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[[3-(4-chlorophenyl)-2-hydroxy-butyl]amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C18H22ClN5O5 MolecularWeight: 423.85078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)NCC(C(C)C2=CC=C(C=C2)Cl)O)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)NCC(C(C)C2=CC=C(C=C2)Cl)O)[N+](=O)[O-])N

InChI

InChI=1S/C18H22ClN5O5/c1-3-29-18(26)23-15-8-13(16(24(27)28)17(20)22-15)21-9-14(25)10(2)11-4-6-12(19)7-5-11/h4-8,10,14,25H,3,9H2,1-2H3,(H4,20,21,22,23,26)