3,4-diethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline

Systemtic Name: 3,4-diethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 3,4-diethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)aniline CAS Name: 3,4-diethoxy-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]aniline IUPAC Name: 3,4-diethoxy-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)aniline Traditional Name: (3,4-diethoxyphenyl)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H25N3O6S/c1-3-28-19-10-7-15(13-20(19)29-4-2)21-17-9-8-16(14-18(17)23(24)25)30(26,27)22-11-5-6-12-22/h7-10,13-14,21H,3-6,11-12H2,1-2H3