N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-15(16-3-6-18(7-4-16)25-11-9-22-14-25)24-21(27)17-5-8-19(23-10-12-30-2)20(13-17)26(28)29/h3-9,11,13-15,23H,10,12H2,1-2H3,(H,24,27)