N-(1,3-benzodioxol-5-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(benzylamino)-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(benzylamino)-5-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(benzylamino)-5-nitro-benzamide Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5/c25-21(23-15-6-9-19-20(10-15)29-13-28-19)17-11-16(24(26)27)7-8-18(17)22-12-14-4-2-1-3-5-14/h1-11,22H,12-13H2,(H,23,25)