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

Systemtic Name: methyl 2-(3-nitro-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanoate Openeye Name: methyl 2-(3-nitro-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoate CAS Name: 2-(3-nitro-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(3-nitro-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoate Traditional Name: 2-(6-keto-3-nitro-5H-benzo[b][1]benzothiepin-8-yl)propionic acid methyl ester Formula: C18H15NO5S MolecularWeight: 357.3804

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5S/c1-10(18(21)24-2)11-3-5-17-14(8-11)15(20)9-12-7-13(19(22)23)4-6-16(12)25-17/h3-8,10H,9H2,1-2H3