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

Systemtic Name: methyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-(3,5-dinitrobenzyl)-$b-carboline-3-carboxylic acid methyl ester Formula: C20H14N4O6 MolecularWeight: 406.34836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O6/c1-30-20(25)17-9-16-15-4-2-3-5-18(15)22(19(16)10-21-17)11-12-6-13(23(26)27)8-14(7-12)24(28)29/h2-10H,11H2,1H3