methyl 3-isocyano-1-methyl-4-nitro-indole-6-carboxylate

Systemtic Name: methyl 3-isocyano-1-methyl-4-nitro-indole-6-carboxylate Openeye Name: methyl 3-isocyano-1-methyl-4-nitro-indole-6-carboxylate CAS Name: 3-isocyano-1-methyl-4-nitro-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-isocyano-1-methyl-4-nitroindole-6-carboxylate Traditional Name: 3-isocyano-1-methyl-4-nitro-indole-6-carboxylic acid methyl ester Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+]#[C-]

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+]#[C-]

InChI

InChI=1S/C12H9N3O4/c1-13-8-6-14(2)9-4-7(12(16)19-3)5-10(11(8)9)15(17)18/h4-6H,2-3H3