ethyl 3-ethyl-1H-pyrrole-2-carboxylate; 1,2,3-trimethylbenzene

Systemtic Name: ethyl 3-ethyl-1H-pyrrole-2-carboxylate; 1,2,3-trimethylbenzene Openeye Name: ethyl 3-ethyl-1H-pyrrole-2-carboxylate; 1,2,3-trimethylbenzene CAS Name: 3-ethyl-1H-pyrrole-2-carboxylic acid ethyl ester; 1,2,3-trimethylbenzene IUPAC Name: ethyl 3-ethyl-1H-pyrrole-2-carboxylate; 1,2,3-trimethylbenzene Traditional Name: 3-ethyl-1H-pyrrole-2-carboxylic acid ethyl ester; hemimellitene Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC=C1)C(=O)OCC.CC1=C(C(=CC=C1)C)C

Isomeric SMILES

CCC1=C(NC=C1)C(=O)OCC.CC1=C(C(=CC=C1)C)C

InChI

InChI=1S/C9H13NO2.C9H12/c1-3-7-5-6-10-8(7)9(11)12-4-2;1-7-5-4-6-8(2)9(7)3/h5-6,10H,3-4H2,1-2H3;4-6H,1-3H3