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

Systemtic Name: 4-(methoxymethyl)-5-(3-methyl-4-nitro-phenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-5-(3-methyl-4-nitro-phenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-5-(3-methyl-4-nitrophenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-(3-methyl-4-nitrophenoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-5-(3-methyl-4-nitro-phenoxy)-9H-$b-carboline-3-carboxylic acid Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=CC3=C2C4=C(C(=NC=C4N3)C(=O)O)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=CC3=C2C4=C(C(=NC=C4N3)C(=O)O)COC)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-11-8-12(6-7-16(11)24(27)28)30-17-5-3-4-14-19(17)18-13(10-29-2)20(21(25)26)22-9-15(18)23-14/h3-9,23H,10H2,1-2H3,(H,25,26)