5-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-5-keto-valeric acid Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC(=O)O)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCC(=O)O)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O6S/c19-16-12-5-4-11(22(27)28)10-13(12)29-17(16)18(26)21-8-6-20(7-9-21)14(23)2-1-3-15(24)25/h4-5,10H,1-3,6-9H2,(H,24,25)