N-[3-(1-adamantyl)-4-chloranyl-5-methoxy-2-nitro-phenyl]-3-oxidanylidene-propanamide

Systemtic Name: N-[3-(1-adamantyl)-4-chloranyl-5-methoxy-2-nitro-phenyl]-3-oxidanylidene-propanamide Openeye Name: N-[3-(1-adamantyl)-4-chloro-5-methoxy-2-nitro-phenyl]-3-oxo-propanamide CAS Name: N-[3-(1-adamantyl)-4-chloro-5-methoxy-2-nitrophenyl]-3-oxopropanamide IUPAC Name: N-[3-(1-adamantyl)-4-chloro-5-methoxy-2-nitrophenyl]-3-oxopropanamide Traditional Name: N-[3-(1-adamantyl)-4-chloro-5-methoxy-2-nitro-phenyl]-3-keto-propionamide Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5/c1-28-15-7-14(22-16(25)2-3-24)19(23(26)27)17(18(15)21)20-8-11-4-12(9-20)6-13(5-11)10-20/h3,7,11-13H,2,4-6,8-10H2,1H3,(H,22,25)