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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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