N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C20H18ClN3O6 MolecularWeight: 431.82642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O6/c1-11(2)10-30-16-7-6-12(8-14(16)21)22-17(25)9-23-19(26)13-4-3-5-15(24(28)29)18(13)20(23)27/h3-8,11H,9-10H2,1-2H3,(H,22,25)