3,5-dinitro-N-(4-pentoxyphenyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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