(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)azanide

Systemtic Name: (4-chloranyl-3-nitro-phenyl)sulfonyl-(2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)azanide Openeye Name: (4-chloro-3-nitro-phenyl)sulfonyl-(2-methyl-3-propoxycarbonyl-benzofuran-5-yl)azanide CAS Name: (4-chloro-3-nitrophenyl)sulfonyl-[2-methyl-3-[oxo(propoxy)methyl]-5-benzofuranyl]azanide IUPAC Name: (4-chloro-3-nitrophenyl)sulfonyl-(2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)azanide Traditional Name: (4-chloro-3-nitro-phenyl)sulfonyl-(2-methyl-3-propoxycarbonyl-benzofuran-5-yl)azanide Formula: C19H16ClN2O7S- MolecularWeight: 451.85754

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(OC2=C1C=C(C=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(OC2=C1C=C(C=C2)[N-]S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H16ClN2O7S/c1-3-8-28-19(23)18-11(2)29-17-7-4-12(9-14(17)18)21-30(26,27)13-5-6-15(20)16(10-13)22(24)25/h4-7,9-10H,3,8H2,1-2H3/q-1