3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanenitrile

Systemtic Name: 3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanenitrile Openeye Name: 3-(4-morpholinosulfonyl-2-nitro-anilino)propanenitrile CAS Name: 3-[4-(4-morpholinylsulfonyl)-2-nitroanilino]propanenitrile IUPAC Name: 3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanenitrile Traditional Name: 3-(4-morpholinosulfonyl-2-nitro-anilino)propionitrile Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5S/c14-4-1-5-15-12-3-2-11(10-13(12)17(18)19)23(20,21)16-6-8-22-9-7-16/h2-3,10,15H,1,5-9H2