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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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