methyl 3-azanyl-4-(2-isocyano-1-pyridin-3-yl-ethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-(2-isocyano-1-pyridin-3-yl-ethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-amino-4-[2-isocyano-1-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-[2-isocyano-1-(3-pyridinyl)ethyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(2-isocyano-1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-[2-isocyano-1-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C(C[N+]#[C-])C2=CN=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C(C[N+]#[C-])C2=CN=CC=C2)N

InChI

InChI=1S/C14H14N4O2/c1-16-7-10(9-4-3-5-17-6-9)11-8-18-13(12(11)15)14(19)20-2/h3-6,8,10,18H,7,15H2,2H3