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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(3-chlorobenzyl)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5/c19-12-4-1-3-11(9-12)10-20-15(23)7-8-21-17(24)13-5-2-6-14(22(26)27)16(13)18(21)25/h1-6,9H,7-8,10H2,(H,20,23)