N-[4-(3-methylbutoxy)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(3-methylbutoxy)phenyl]-3,5-dinitro-benzamide Openeye Name: N-(4-isopentyloxyphenyl)-3,5-dinitro-benzamide CAS Name: N-[4-(3-methylbutoxy)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(3-methylbutoxy)phenyl]-3,5-dinitrobenzamide Traditional Name: N-(4-isoamoxyphenyl)-3,5-dinitro-benzamide Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c1-12(2)7-8-27-17-5-3-14(4-6-17)19-18(22)13-9-15(20(23)24)11-16(10-13)21(25)26/h3-6,9-12H,7-8H2,1-2H3,(H,19,22)