N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-imidazol-1-yl-2-nitro-anilino)propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[4-(1-imidazolyl)-2-nitroanilino]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-imidazol-1-yl-2-nitroanilino)propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-imidazol-1-yl-2-nitro-anilino)propionamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CCNC3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c27-21(24-12-16-13-30-19-3-1-2-4-20(19)31-16)7-8-23-17-6-5-15(11-18(17)26(28)29)25-10-9-22-14-25/h1-6,9-11,14,16,23H,7-8,12-13H2,(H,24,27)