N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-piperonyl-benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c22-18(19-9-11-1-6-16-17(7-11)26-10-25-16)12-2-5-14(20-13-3-4-13)15(8-12)21(23)24/h1-2,5-8,13,20H,3-4,9-10H2,(H,19,22)