(2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)-(3-nitrophenyl)sulfonyl-azanide

Systemtic Name: (2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)-(3-nitrophenyl)sulfonyl-azanide Openeye Name: (2-methyl-3-propoxycarbonyl-benzofuran-5-yl)-(3-nitrophenyl)sulfonyl-azanide CAS Name: [2-methyl-3-[oxo(propoxy)methyl]-5-benzofuranyl]-(3-nitrophenyl)sulfonylazanide IUPAC Name: (2-methyl-3-propoxycarbonyl-1-benzofuran-5-yl)-(3-nitrophenyl)sulfonylazanide Traditional Name: (2-methyl-3-propoxycarbonyl-benzofuran-5-yl)-(3-nitrophenyl)sulfonyl-azanide Formula: C19H17N2O7S- MolecularWeight: 417.41248

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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=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H17N2O7S/c1-3-9-27-19(22)18-12(2)28-17-8-7-13(10-16(17)18)20-29(25,26)15-6-4-5-14(11-15)21(23)24/h4-8,10-11H,3,9H2,1-2H3/q-1