N-(3-imidazol-1-ylpropyl)-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-methyl-3,5-dinitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-methyl-3,5-dinitro-benzamide Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NCCCN2C=CN=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NCCCN2C=CN=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O5/c1-10-12(7-11(18(21)22)8-13(10)19(23)24)14(20)16-3-2-5-17-6-4-15-9-17/h4,6-9H,2-3,5H2,1H3,(H,16,20)