N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-N-[(2-oxo-1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[(2-ketopyrrolidino)methyl]-4-methyl-3-nitro-benzamide Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CN2CCCC2=O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CN2CCCC2=O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-13-8-9-14(11-16(13)24(27)28)19(26)23(12-22-10-4-7-18(22)25)20-21-15-5-2-3-6-17(15)29-20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3