methyl 3-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[(piperonyloylamino)carbamoyl]benzoic acid methyl ester Formula: C17H13N3O8 MolecularWeight: 387.30042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O8/c1-26-17(23)11-4-10(5-12(6-11)20(24)25)16(22)19-18-15(21)9-2-3-13-14(7-9)28-8-27-13/h2-7H,8H2,1H3,(H,18,21)(H,19,22)