methyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoate

Systemtic Name: methyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoate Openeye Name: methyl 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoate CAS Name: 4-(3-formyl-2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)-3-methylbenzoate Traditional Name: 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=O

InChI

InChI=1S/C16H17NO3/c1-10-7-13(16(19)20-4)5-6-15(10)17-11(2)8-14(9-18)12(17)3/h5-9H,1-4H3