N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6S/c24-23(25)17-12-15(30(26,27)22-7-1-2-8-22)4-5-16(17)21-20-13-14-3-6-18-19(11-14)29-10-9-28-18/h3-6,11-13,21H,1-2,7-10H2/b20-13+