methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1,3-benzodioxol-5-ylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7/c1-23-16(20)10-4-9(5-12(6-10)18(21)22)15(19)17-11-2-3-13-14(7-11)25-8-24-13/h2-7H,8H2,1H3,(H,17,19)