4-(3-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C12H10N4O3S MolecularWeight: 290.2978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O3S/c17-10-6-20-11(9-5-13-15-12(9)14-10)7-2-1-3-8(4-7)16(18)19/h1-5,11H,6H2,(H2,13,14,15,17)