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

Systemtic Name: ethyl 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H16N2O8 MolecularWeight: 400.33894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O8/c1-3-27-19(24)12-4-11(5-13(6-12)21(25)26)18(23)20-15-8-17-16(28-9-29-17)7-14(15)10(2)22/h4-8H,3,9H2,1-2H3,(H,20,23)