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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(cyclopropylamino)-3-nitro-benzamide Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5/c21-17(19-12-4-6-15-16(8-12)25-9-24-15)10-1-5-13(18-11-2-3-11)14(7-10)20(22)23/h1,4-8,11,18H,2-3,9H2,(H,19,21)