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

Systemtic Name: 4-(methoxymethyl)-6-(4-nitrophenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-6-(4-nitrophenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-6-(4-nitrophenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-6-(4-nitrophenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-6-(4-nitrophenoxy)-9H-$b-carboline-3-carboxylic acid Formula: C20H15N3O6 MolecularWeight: 393.3496

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-])NC2=CN=C1C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O6/c1-28-10-15-18-14-8-13(29-12-4-2-11(3-5-12)23(26)27)6-7-16(14)22-17(18)9-21-19(15)20(24)25/h2-9,22H,10H2,1H3,(H,24,25)