4-(3-nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 4-(3-nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-isopropyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(3-nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(3-nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-isopropyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C15H16N4O4S/c1-8(2)18-14-12(15(21)17-18)13(24-7-11(20)16-14)9-4-3-5-10(6-9)19(22)23/h3-6,8,13H,7H2,1-2H3,(H,16,20)(H,17,21)