ethyl 2-[2-nitro-4-(propylcarbamoyl)phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(propylcarbamoyl)phenyl]sulfonylethanoate Openeye Name: ethyl 2-[2-nitro-4-(propylcarbamoyl)phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-[oxo(propylamino)methyl]phenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(propylcarbamoyl)phenyl]sulfonylacetate Traditional Name: 2-[2-nitro-4-(propylcarbamoyl)phenyl]sulfonylacetic acid ethyl ester Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O7S/c1-3-7-15-14(18)10-5-6-12(11(8-10)16(19)20)24(21,22)9-13(17)23-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,18)