4-(methoxymethyl)-5-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-5-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-5-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-5-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-5-(4-nitrobenzyl)oxy-9H-$b-carboline-3-carboxylic acid Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-29-11-14-18-16(9-22-20(14)21(25)26)23-15-3-2-4-17(19(15)18)30-10-12-5-7-13(8-6-12)24(27)28/h2-9,23H,10-11H2,1H3,(H,25,26)