3-[[1-(4-butylphenyl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate

Systemtic Name: 3-[[1-(4-butylphenyl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoate Openeye Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-dioxo-pyrrol-3-yl]amino]benzoate CAS Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-dioxo-3-pyrrolyl]amino]benzoate IUPAC Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-dioxopyrrol-3-yl]amino]benzoate Traditional Name: 3-[[1-(4-butylphenyl)-4-chloro-2,5-diketo-3-pyrrolin-3-yl]amino]benzoate Formula: C21H18ClN2O4- MolecularWeight: 397.83162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C21H19ClN2O4/c1-2-3-5-13-8-10-16(11-9-13)24-19(25)17(22)18(20(24)26)23-15-7-4-6-14(12-15)21(27)28/h4,6-12,23H,2-3,5H2,1H3,(H,27,28)/p-1