ethyl 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-2-25-16(22)19-7-5-18(6-8-19)15(21)14-13(17)11-4-3-10(20(23)24)9-12(11)26-14/h3-4,9H,2,5-8H2,1H3