N-(3-butoxypropyl)-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-(3-butoxypropyl)-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-(3-butoxypropyl)-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-(3-butoxypropyl)-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-(3-butoxypropyl)-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-(3-butoxypropyl)-4-imidazol-1-yl-3-nitro-benzamide Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-2-3-10-25-11-4-7-19-17(22)14-5-6-15(16(12-14)21(23)24)20-9-8-18-13-20/h5-6,8-9,12-13H,2-4,7,10-11H2,1H3,(H,19,22)