dimethyl 6-isocyano-3-phenyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate

Systemtic Name: dimethyl 6-isocyano-3-phenyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate Openeye Name: dimethyl 6-isocyano-3-phenyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate CAS Name: 6-isocyano-3-phenyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-isocyano-3-phenyl-1H-pyrrolo[1,2-a]imidazole-2,7-dicarboxylate Traditional Name: 6-isocyano-3-phenyl-1H-pyrrol[1,2-a]imidazole-2,7-dicarboxylic acid dimethyl ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2NC(=C(N2C=C1[N+]#[C-])C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C2NC(=C(N2C=C1[N+]#[C-])C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C17H13N3O4/c1-18-11-9-20-14(10-7-5-4-6-8-10)13(17(22)24-3)19-15(20)12(11)16(21)23-2/h4-9,19H,2-3H3