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

Systemtic Name: 6-(3-cyano-4-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-(3-cyano-4-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-(3-cyano-4-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-(3-cyano-4-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(3-cyano-4-nitro-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O6/c1-30-10-15-19-14-7-13(31-12-3-5-18(25(28)29)11(6-12)8-22)2-4-16(14)24-17(19)9-23-20(15)21(26)27/h2-7,9,24H,10H2,1H3,(H,26,27)