6-(3-chloranyl-2-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-(3-chloranyl-2-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(3-chloro-2-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(3-chloro-2-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(3-chloro-2-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(3-chloro-2-nitro-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C20H14ClN3O6 MolecularWeight: 427.79466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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