ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-3-27-20(24)15-9-14(10-16(11-15)22(25)26)19(23)21(2)12-13-4-5-17-18(8-13)29-7-6-28-17/h4-5,8-11H,3,6-7,12H2,1-2H3