3-chloranyl-N-(4-morpholin-4-yl-3-nitro-phenyl)-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4-morpholin-4-yl-3-nitro-phenyl)-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(4-morpholino-3-nitro-phenyl)-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-morpholinyl)-3-nitrophenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(4-morpholino-3-nitro-phenyl)-7-nitro-benzothiophene-2-carboxamide Formula: C19H15ClN4O6S MolecularWeight: 462.8636

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN4O6S/c20-16-12-2-1-3-14(23(26)27)17(12)31-18(16)19(25)21-11-4-5-13(15(10-11)24(28)29)22-6-8-30-9-7-22/h1-5,10H,6-9H2,(H,21,25)