[(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 3,5-dinitrobenzoate

Systemtic Name: [(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 3,5-dinitrobenzoate Openeye Name: [(Z)-[amino(4-pyridyl)methylene]amino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(Z)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-4-yl)methylidene]amino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(Z)-[amino(4-pyridyl)methylene]amino] ester Formula: C13H9N5O6 MolecularWeight: 331.24046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CN=CC=C1/C(=N/OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/N

InChI

InChI=1S/C13H9N5O6/c14-12(8-1-3-15-4-2-8)16-24-13(19)9-5-10(17(20)21)7-11(6-9)18(22)23/h1-7H,(H2,14,16)