5-chloranyl-3-methyl-5-nitro-4-thiophen-2-yl-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-methyl-5-nitro-4-thiophen-2-yl-indole-2-carboxylic acid Openeye Name: 5-chloro-3-methyl-5-nitro-4-(2-thienyl)indole-2-carboxylic acid CAS Name: 5-chloro-3-methyl-5-nitro-4-thiophen-2-yl-2-indolecarboxylic acid IUPAC Name: 5-chloro-3-methyl-5-nitro-4-thiophen-2-ylindole-2-carboxylic acid Traditional Name: 5-chloro-3-methyl-5-nitro-4-(2-thienyl)indole-2-carboxylic acid Formula: C14H9ClN2O4S MolecularWeight: 336.75026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C1=C(C(C=C2)([N+](=O)[O-])Cl)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(N=C2C1=C(C(C=C2)([N+](=O)[O-])Cl)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H9ClN2O4S/c1-7-10-8(16-12(7)13(18)19)4-5-14(15,17(20)21)11(10)9-3-2-6-22-9/h2-6H,1H3,(H,18,19)