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

Systemtic Name: ethyl 3-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[(piperonyloylamino)carbamoyl]benzoic acid ethyl ester Formula: C18H15N3O8 MolecularWeight: 401.327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O8/c1-2-27-18(24)12-5-11(6-13(7-12)21(25)26)17(23)20-19-16(22)10-3-4-14-15(8-10)29-9-28-14/h3-8H,2,9H2,1H3,(H,19,22)(H,20,23)