N-butyl-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline

Systemtic Name: N-butyl-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline Openeye Name: N-butyl-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline CAS Name: N-butyl-2-nitro-4-(3-nitrophenyl)sulfonylaniline IUPAC Name: N-butyl-2-nitro-4-(3-nitrophenyl)sulfonylaniline Traditional Name: butyl-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]amine Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-2-3-9-17-15-8-7-14(11-16(15)19(22)23)26(24,25)13-6-4-5-12(10-13)18(20)21/h4-8,10-11,17H,2-3,9H2,1H3