methyl 3-(2-azanyl-5-nitro-phenyl)-2-cyano-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(2-azanyl-5-nitro-phenyl)-2-cyano-3-oxidanylidene-propanoate Openeye Name: methyl 3-(2-amino-5-nitro-phenyl)-2-cyano-3-oxo-propanoate CAS Name: 3-(2-amino-5-nitrophenyl)-2-cyano-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-5-nitrophenyl)-2-cyano-3-oxopropanoate Traditional Name: 3-(2-amino-5-nitro-phenyl)-2-cyano-3-keto-propionic acid methyl ester Formula: C11H9N3O5 MolecularWeight: 263.20626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O5/c1-19-11(16)8(5-12)10(15)7-4-6(14(17)18)2-3-9(7)13/h2-4,8H,13H2,1H3