3-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide

Systemtic Name: 3-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide Openeye Name: 3-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide CAS Name: 3-[2-(1-imidazolyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 3-(2-imidazol-1-ylethyl)-2,4-dinitrobenzamide Traditional Name: 3-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)N)[N+](=O)[O-])CCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)N)[N+](=O)[O-])CCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5/c13-12(18)9-1-2-10(16(19)20)8(11(9)17(21)22)3-5-15-6-4-14-7-15/h1-2,4,6-7H,3,5H2,(H2,13,18)