3-(1-adamantyl)-2-chloranyl-N-(2-methoxy-5-nitro-phenyl)-3-oxidanylidene-propanamide

Systemtic Name: 3-(1-adamantyl)-2-chloranyl-N-(2-methoxy-5-nitro-phenyl)-3-oxidanylidene-propanamide Openeye Name: 3-(1-adamantyl)-2-chloro-N-(2-methoxy-5-nitro-phenyl)-3-oxo-propanamide CAS Name: 3-(1-adamantyl)-2-chloro-N-(2-methoxy-5-nitrophenyl)-3-oxopropanamide IUPAC Name: 3-(1-adamantyl)-2-chloro-N-(2-methoxy-5-nitrophenyl)-3-oxopropanamide Traditional Name: 3-(1-adamantyl)-2-chloro-3-keto-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C20H23ClN2O5/c1-28-16-3-2-14(23(26)27)7-15(16)22-19(25)17(21)18(24)20-8-11-4-12(9-20)6-13(5-11)10-20/h2-3,7,11-13,17H,4-6,8-10H2,1H3,(H,22,25)