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

Systemtic Name: 5-cyclopropyl-3-nitro-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-cyclopropyl-3-nitro-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-cyclopropyl-3-nitro-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-cyclopropyl-3-nitrobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-cyclopropyl-3-nitro-benzo[b][1,4]benzothiazepin-6-one Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4C2=O

Isomeric SMILES

C1CC1N2C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4C2=O

InChI

InChI=1S/C16H12N2O3S/c19-16-12-3-1-2-4-14(12)22-15-8-7-11(18(20)21)9-13(15)17(16)10-5-6-10/h1-4,7-10H,5-6H2