5-(5-chloranyl-2-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-(5-chloranyl-2-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-nitro-phenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(5-chloro-2-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-(5-chloro-2-nitrophenoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-nitro-phenoxy)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C20H14ClN3O6 MolecularWeight: 427.79466

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OC4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=C2C(=CC=C3)OC4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O6/c1-29-9-11-17-13(8-22-19(11)20(25)26)23-12-3-2-4-15(18(12)17)30-16-7-10(21)5-6-14(16)24(27)28/h2-8,23H,9H2,1H3,(H,25,26)