methyl 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H14N2O8 MolecularWeight: 386.31236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)OCO2

InChI

InChI=1S/C18H14N2O8/c1-9(21)13-6-15-16(28-8-27-15)7-14(13)19-17(22)10-3-11(18(23)26-2)5-12(4-10)20(24)25/h3-7H,8H2,1-2H3,(H,19,22)