(3E)-2-propan-2-ylidene-3-[1-(1,2,5-trimethylpyrrol-3-yl)ethylidene]butanedioic acid

Systemtic Name: (3E)-2-propan-2-ylidene-3-[1-(1,2,5-trimethylpyrrol-3-yl)ethylidene]butanedioic acid Openeye Name: (3E)-2-isopropylidene-3-[1-(1,2,5-trimethylpyrrol-3-yl)ethylidene]butanedioic acid CAS Name: (3E)-2-propan-2-ylidene-3-[1-(1,2,5-trimethyl-3-pyrrolyl)ethylidene]butanedioic acid IUPAC Name: (3E)-2-propan-2-ylidene-3-[1-(1,2,5-trimethylpyrrol-3-yl)ethylidene]butanedioic acid Traditional Name: (3E)-2-isopropylidene-3-[1-(1,2,5-trimethylpyrrol-3-yl)ethylidene]succinic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=C(C(=C(C)C)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(N1C)C)/C(=C(\C(=C(C)C)C(=O)O)/C(=O)O)/C

InChI

InChI=1S/C16H21NO4/c1-8(2)13(15(18)19)14(16(20)21)10(4)12-7-9(3)17(6)11(12)5/h7H,1-6H3,(H,18,19)(H,20,21)/b14-10+