N-(4-methyl-2-oxidanyl-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-hydroxy-4-methylphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(2-hydroxy-4-methyl-phenyl)propionamide Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-10-2-5-14(15(22)8-10)19-16(23)6-7-20-17(24)12-4-3-11(21(26)27)9-13(12)18(20)25/h2-5,8-9,22H,6-7H2,1H3,(H,19,23)