[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H17N3O6/c25-19(23-21(27)22-15-6-7-17-18(11-15)30-13-29-17)12-28-20(26)14-4-3-5-16(10-14)24-8-1-2-9-24/h1-11H,12-13H2,(H2,22,23,25,27)