N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dinitro-benzamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dinitro-benzamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dinitrobenzamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dinitro-benzamide Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-12(13-2-4-15(5-3-13)21-7-6-19-11-21)20-18(24)14-8-16(22(25)26)10-17(9-14)23(27)28/h2-12H,1H3,(H,20,24)/t12-/m0/s1