(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H14N2O7/c1-10(16(20)18-11-5-3-2-4-6-11)26-17(21)12-7-14-15(25-9-24-14)8-13(12)19(22)23/h2-8,10H,9H2,1H3,(H,18,20)