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

Systemtic Name: N-[4-(diethylamino)phenyl]-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[4-(diethylamino)phenyl]-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(diethylamino)phenyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[4-(diethylamino)phenyl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[4-(diethylamino)phenyl]-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-3-23(4-2)15-10-8-14(9-11-15)22-18(26)12-13-24-20(27)16-6-5-7-17(25(29)30)19(16)21(24)28/h5-11H,3-4,12-13H2,1-2H3,(H,22,26)