N-(2-chloranyl-4,6-dimethyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H16ClN3O5/c1-10-8-11(2)17(13(20)9-10)21-15(24)6-7-22-18(25)12-4-3-5-14(23(27)28)16(12)19(22)26/h3-5,8-9H,6-7H2,1-2H3,(H,21,24)