3-nitro-5-propyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-nitro-5-propyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-nitro-5-propyl-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-nitro-5-propyl-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-nitro-5-propylbenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-nitro-5-propyl-benzo[b][1,4]benzothiazepin-6-one Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3C1=O

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3C1=O

InChI

InChI=1S/C16H14N2O3S/c1-2-9-17-13-10-11(18(20)21)7-8-15(13)22-14-6-4-3-5-12(14)16(17)19/h3-8,10H,2,9H2,1H3