[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-(5-methylisoxazol-3-yl)methanone CAS Name: [4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-(5-methyl-3-isoxazolyl)methanone IUPAC Name: [4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-(5-methylisoxazol-3-yl)methanone Formula: C18H15ClN4O5S MolecularWeight: 434.8535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O5S/c1-10-8-13(20-28-10)17(24)21-4-6-22(7-5-21)18(25)16-15(19)12-3-2-11(23(26)27)9-14(12)29-16/h2-3,8-9H,4-7H2,1H3