N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide Openeye Name: 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitrobenzamide Traditional Name: 2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-benzamide Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5/c26-22(24-16-6-9-20-21(12-16)30-11-10-29-20)18-13-17(25(27)28)7-8-19(18)23-14-15-4-2-1-3-5-15/h1-9,12-13,23H,10-11,14H2,(H,24,26)