[(E)-[azanyl(pyridin-3-yl)methylidene]amino] 4-methyl-3-nitro-benzoate

Systemtic Name: [(E)-[azanyl(pyridin-3-yl)methylidene]amino] 4-methyl-3-nitro-benzoate Openeye Name: [(E)-[amino(3-pyridyl)methylene]amino] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(E)-[amino(3-pyridinyl)methylidene]amino] ester IUPAC Name: [(E)-[amino(pyridin-3-yl)methylidene]amino] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(E)-[amino(3-pyridyl)methylene]amino] ester Formula: C14H12N4O4 MolecularWeight: 300.26948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)ON=C(C2=CN=CC=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O/N=C(\C2=CN=CC=C2)/N)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4/c1-9-4-5-10(7-12(9)18(20)21)14(19)22-17-13(15)11-3-2-6-16-8-11/h2-8H,1H3,(H2,15,17)