5-[(E)-(5-chloranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[(E)-(5-chloranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(E)-(5-chloro-2-oxo-indolin-3-ylidene)methyl]-4-(3-ethoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(E)-(5-chloro-2-keto-indolin-3-ylidene)methyl]-4-(3-ethoxy-3-keto-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=C1C)C(=O)O)C=C2C3=C(C=CC(=C3)Cl)NC2=O

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=C1C)C(=O)O)/C=C/2\C3=C(C=CC(=C3)Cl)NC2=O

InChI

InChI=1S/C20H19ClN2O5/c1-3-28-17(24)7-5-12-10(2)18(20(26)27)22-16(12)9-14-13-8-11(21)4-6-15(13)23-19(14)25/h4,6,8-9,22H,3,5,7H2,1-2H3,(H,23,25)(H,26,27)/b14-9+