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

Systemtic Name: 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-6-(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=C2C3=C(C=CC(=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])NC2=CN=C1C(=O)O

InChI

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