N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-(piperonylamino)propyl]-4-nitro-benzamide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c22-17(20-10-12-1-6-15-16(9-12)27-11-26-15)7-8-19-18(23)13-2-4-14(5-3-13)21(24)25/h1-6,9H,7-8,10-11H2,(H,19,23)(H,20,22)