dimethyl 5-nitro-2,3-dihydrobenzo[e]indole-1,1-dicarboxylate

Systemtic Name: dimethyl 5-nitro-2,3-dihydrobenzo[e]indole-1,1-dicarboxylate Openeye Name: dimethyl 5-nitro-2,3-dihydrobenzo[e]indole-1,1-dicarboxylate CAS Name: 5-nitro-2,3-dihydrobenzo[e]indole-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-nitro-2,3-dihydrobenzo[e]indole-1,1-dicarboxylate Traditional Name: 5-nitro-2,3-dihydrobenz[e]indole-1,1-dicarboxylic acid dimethyl ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CNC2=C1C3=CC=CC=C3C(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1(CNC2=C1C3=CC=CC=C3C(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H14N2O6/c1-23-14(19)16(15(20)24-2)8-17-11-7-12(18(21)22)9-5-3-4-6-10(9)13(11)16/h3-7,17H,8H2,1-2H3