[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-azanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-azanylbenzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H18N2O3/c1-10-8-14(11(2)18(10)3)15(19)9-21-16(20)12-4-6-13(17)7-5-12/h4-8H,9,17H2,1-3H3