ethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 9-[(3,5-dinitrophenyl)methyl]-3-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-(3,5-dinitrobenzyl)-$b-carboline-3-carboxylic acid ethyl ester Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O6/c1-2-31-21(26)18-10-17-16-5-3-4-6-19(16)23(20(17)11-22-18)12-13-7-14(24(27)28)9-15(8-13)25(29)30/h3-11H,2,12H2,1H3