1-chloranyl-N-(2-methoxy-4-nitro-phenyl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(2-methoxy-4-nitro-phenyl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-(2-methoxy-4-nitro-phenyl)benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-(2-methoxy-4-nitrophenyl)-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-(2-methoxy-4-nitrophenyl)benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-(2-methoxy-4-nitro-phenyl)benzo[e]benzothiophene-2-carboxamide Formula: C20H13ClN2O4S MolecularWeight: 412.84622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H13ClN2O4S/c1-27-15-10-12(23(25)26)7-8-14(15)22-20(24)19-18(21)17-13-5-3-2-4-11(13)6-9-16(17)28-19/h2-10H,1H3,(H,22,24)