N-[1-(4-butan-2-ylphenyl)propyl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: 4-methyl-3,5-dinitro-N-[1-(4-sec-butylphenyl)propyl]benzamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: 4-methyl-3,5-dinitro-N-[1-(4-sec-butylphenyl)propyl]benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-5-13(3)15-7-9-16(10-8-15)18(6-2)22-21(25)17-11-19(23(26)27)14(4)20(12-17)24(28)29/h7-13,18H,5-6H2,1-4H3,(H,22,25)