2-(3-nitro-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanamide

Systemtic Name: 2-(3-nitro-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanamide Openeye Name: 2-(3-nitro-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanamide CAS Name: 2-(3-nitro-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanamide IUPAC Name: 2-(3-nitro-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanamide Traditional Name: 2-(6-keto-3-nitro-5H-benzo[b][1]benzothiepin-8-yl)propionamide Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=C(C=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H14N2O4S/c1-9(17(18)21)10-2-4-16-13(7-10)14(20)8-11-6-12(19(22)23)3-5-15(11)24-16/h2-7,9H,8H2,1H3,(H2,18,21)