4-(methoxymethyl)-5-[(2-methyl-3-nitro-phenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-5-[(2-methyl-3-nitro-phenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-5-[(2-methyl-3-nitro-phenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-5-[(2-methyl-3-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-[(2-methyl-3-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-5-(2-methyl-3-nitro-benzyl)oxy-9H-$b-carboline-3-carboxylic acid Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])COC2=CC=CC3=C2C4=C(C(=NC=C4N3)C(=O)O)COC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])COC2=CC=CC3=C2C4=C(C(=NC=C4N3)C(=O)O)COC

InChI

InChI=1S/C22H19N3O6/c1-12-13(5-3-7-17(12)25(28)29)10-31-18-8-4-6-15-20(18)19-14(11-30-2)21(22(26)27)23-9-16(19)24-15/h3-9,24H,10-11H2,1-2H3,(H,26,27)