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

Systemtic Name: 3-(2-azanyl-5-nitro-phenyl)-2-cyano-3-oxidanylidene-propanoate Openeye Name: 3-(2-amino-5-nitro-phenyl)-2-cyano-3-oxo-propanoate CAS Name: 3-(2-amino-5-nitrophenyl)-2-cyano-3-oxopropanoate IUPAC Name: 3-(2-amino-5-nitrophenyl)-2-cyano-3-oxopropanoate Traditional Name: 3-(2-amino-5-nitro-phenyl)-2-cyano-3-keto-propionate Formula: C10H6N3O5- MolecularWeight: 248.17174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O5/c11-4-7(10(15)16)9(14)6-3-5(13(17)18)1-2-8(6)12/h1-3,7H,12H2,(H,15,16)/p-1