ethyl 1-(2,4-dinitrophenyl)-4a-methyl-9,9a-dihydro-4H-pyridazino[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 1-(2,4-dinitrophenyl)-4a-methyl-9,9a-dihydro-4H-pyridazino[3,4-b]indole-3-carboxylate Openeye Name: ethyl 1-(2,4-dinitrophenyl)-4a-methyl-9,9a-dihydro-4H-pyridazino[3,4-b]indole-3-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-4a-methyl-9,9a-dihydro-4H-pyridazino[3,4-b]indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-dinitrophenyl)-4a-methyl-9,9a-dihydro-4H-pyridazino[3,4-b]indole-3-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)-4a-methyl-9,9a-dihydro-4H-pyridazin[3,4-b]indole-3-carboxylic acid ethyl ester Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2C(C1)(C3=CC=CC=C3N2)C)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C2C(C1)(C3=CC=CC=C3N2)C)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6/c1-3-31-18(26)15-11-20(2)13-6-4-5-7-14(13)21-19(20)23(22-15)16-9-8-12(24(27)28)10-17(16)25(29)30/h4-10,19,21H,3,11H2,1-2H3