N,N-dibutyl-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline

Systemtic Name: N,N-dibutyl-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline Openeye Name: N,N-dibutyl-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline CAS Name: N,N-dibutyl-2-nitro-4-(3-nitrophenyl)sulfonylaniline IUPAC Name: N,N-dibutyl-2-nitro-4-(3-nitrophenyl)sulfonylaniline Traditional Name: dibutyl-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]amine Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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