N-(6-chloranyl-1,3-benzodioxol-5-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-4-morpholino-3-nitro-benzamide Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3Cl)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3Cl)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O6/c19-12-8-16-17(28-10-27-16)9-13(12)20-18(23)11-1-2-14(15(7-11)22(24)25)21-3-5-26-6-4-21/h1-2,7-9H,3-6,10H2,(H,20,23)