methyl 2,4-bis(oxidanylidene)-4-[1-(phenylmethyl)pyrrol-3-yl]butanoate

Systemtic Name: methyl 2,4-bis(oxidanylidene)-4-[1-(phenylmethyl)pyrrol-3-yl]butanoate Openeye Name: methyl 4-(1-benzylpyrrol-3-yl)-2,4-dioxo-butanoate CAS Name: 2,4-dioxo-4-[1-(phenylmethyl)-3-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-(1-benzylpyrrol-3-yl)-2,4-dioxobutanoate Traditional Name: 4-(1-benzylpyrrol-3-yl)-2,4-diketo-butyric acid methyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CC(=O)C1=CN(C=C1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(=O)CC(=O)C1=CN(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H15NO4/c1-21-16(20)15(19)9-14(18)13-7-8-17(11-13)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3