(E)-4-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-4-keto-but-2-enoic acid Formula: C17H14ClN3O6S MolecularWeight: 423.82756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O6S/c18-15-11-2-1-10(21(26)27)9-12(11)28-16(15)17(25)20-7-5-19(6-8-20)13(22)3-4-14(23)24/h1-4,9H,5-8H2,(H,23,24)/b4-3+