2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline

Systemtic Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline Openeye Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]aniline CAS Name: 2-nitro-4-(1-pyrrolidinylsulfonyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline IUPAC Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[(E)-(2,4,5-trimethoxybenzylidene)amino]amine Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H24N4O7S/c1-29-18-12-20(31-3)19(30-2)10-14(18)13-21-22-16-7-6-15(11-17(16)24(25)26)32(27,28)23-8-4-5-9-23/h6-7,10-13,22H,4-5,8-9H2,1-3H3/b21-13+