N-[1-(4-imidazol-1-ylphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C20H18N4O5/c1-13(14-2-4-15(5-3-14)23-7-6-21-12-23)22-20(25)16-10-18-19(29-9-8-28-18)11-17(16)24(26)27/h2-7,10-13H,8-9H2,1H3,(H,22,25)