N-(4-butoxyphenyl)-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(4-butoxyphenyl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(4-butoxyphenyl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-(4-butoxyphenyl)-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(4-butoxyphenyl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-(4-butoxyphenyl)-4-methyl-3,5-dinitro-benzamide Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c1-3-4-9-27-15-7-5-14(6-8-15)19-18(22)13-10-16(20(23)24)12(2)17(11-13)21(25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,22)