2-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(7-chloropiperonyloyl)amino]methyl]-4-nitro-phenolate Formula: C15H10ClN2O6- MolecularWeight: 349.7027

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C15H11ClN2O6/c16-11-4-8(5-13-14(11)24-7-23-13)15(20)17-6-9-3-10(18(21)22)1-2-12(9)19/h1-5,19H,6-7H2,(H,17,20)/p-1