methyl 2-isocyanato-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl 2-isocyanato-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-isocyanato-3-(4-nitrophenyl)propanoate CAS Name: 2-isocyanato-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-isocyanato-3-(4-nitrophenyl)propanoate Traditional Name: 2-isocyanato-3-(4-nitrophenyl)propionic acid methyl ester Formula: C11H10N2O5 MolecularWeight: 250.2075

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N=C=O

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N=C=O

InChI

InChI=1S/C11H10N2O5/c1-18-11(15)10(12-7-14)6-8-2-4-9(5-3-8)13(16)17/h2-5,10H,6H2,1H3