methyl 3-isocyano-3-(3-nitrophenyl)propanoate

Systemtic Name: methyl 3-isocyano-3-(3-nitrophenyl)propanoate Openeye Name: methyl 3-isocyano-3-(3-nitrophenyl)propanoate CAS Name: 3-isocyano-3-(3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-isocyano-3-(3-nitrophenyl)propanoate Traditional Name: 3-isocyano-3-(3-nitrophenyl)propionic acid methyl ester Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4/c1-12-10(7-11(14)17-2)8-4-3-5-9(6-8)13(15)16/h3-6,10H,7H2,2H3