ethyl 9-[(4-methyl-3-nitro-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 9-[(4-methyl-3-nitro-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 9-[(4-methyl-3-nitro-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 9-[(4-methyl-3-nitrophenyl)methyl]-3-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 9-[(4-methyl-3-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-(4-methyl-3-nitro-benzyl)-$b-carboline-3-carboxylic acid ethyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2CC4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2CC4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4/c1-3-29-22(26)18-11-17-16-6-4-5-7-19(16)24(21(17)12-23-18)13-15-9-8-14(2)20(10-15)25(27)28/h4-12H,3,13H2,1-2H3