6-(3-chloranyl-4-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-(3-chloranyl-4-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(3-chloro-4-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(3-chloro-4-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(3-chloro-4-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(3-chloro-4-nitro-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C20H14ClN3O6 MolecularWeight: 427.79466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OC4=CC(=C(C=C4)[N+](=O)[O-])Cl)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OC4=CC(=C(C=C4)[N+](=O)[O-])Cl)NC2=CN=C1C(=O)O

InChI

InChI=1S/C20H14ClN3O6/c1-29-9-13-18-12-6-10(30-11-3-5-17(24(27)28)14(21)7-11)2-4-15(12)23-16(18)8-22-19(13)20(25)26/h2-8,23H,9H2,1H3,(H,25,26)