N-(5-chloranyl-2-methoxy-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-(1,3-diketo-5-nitro-isoindolin-2-yl)propionamide Formula: C18H14ClN3O6 MolecularWeight: 403.77326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O6/c1-28-15-5-2-10(19)8-14(15)20-16(23)6-7-21-17(24)12-4-3-11(22(26)27)9-13(12)18(21)25/h2-5,8-9H,6-7H2,1H3,(H,20,23)