N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N4O6S/c1-13(14-4-7-18-19(10-14)29-12-28-18)20-21-16-6-5-15(11-17(16)23(24)25)30(26,27)22-8-2-3-9-22/h4-7,10-11,21H,2-3,8-9,12H2,1H3/b20-13+