2,4-bis(oxidanylidene)-4-[1-(phenylmethyl)pyrrol-2-yl]butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-[1-(phenylmethyl)pyrrol-2-yl]butanoic acid Openeye Name: 4-(1-benzylpyrrol-2-yl)-2,4-dioxo-butanoic acid CAS Name: 2,4-dioxo-4-[1-(phenylmethyl)-2-pyrrolyl]butanoic acid IUPAC Name: 4-(1-benzylpyrrol-2-yl)-2,4-dioxobutanoic acid Traditional Name: 4-(1-benzylpyrrol-2-yl)-2,4-diketo-butyric acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC=C2C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC=C2C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C15H13NO4/c17-13(9-14(18)15(19)20)12-7-4-8-16(12)10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)