N-(6-chloranyl-1,3-benzodioxol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H10ClN5O5 MolecularWeight: 387.7341

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN5O5/c17-10-4-14-15(27-8-26-14)5-11(10)20-16(23)9-1-2-12(13(3-9)22(24)25)21-7-18-6-19-21/h1-7H,8H2,(H,20,23)