N-[(E)-(2-azanylpyrimidin-5-yl)methylideneamino]-2-nitro-benzamide

Systemtic Name: N-[(E)-(2-azanylpyrimidin-5-yl)methylideneamino]-2-nitro-benzamide Openeye Name: N-[(E)-(2-aminopyrimidin-5-yl)methyleneamino]-2-nitro-benzamide CAS Name: N-[(E)-(2-amino-5-pyrimidinyl)methylideneamino]-2-nitrobenzamide IUPAC Name: N-[(E)-(2-aminopyrimidin-5-yl)methylideneamino]-2-nitrobenzamide Traditional Name: N-[(E)-(2-aminopyrimidin-5-yl)methyleneamino]-2-nitro-benzamide Formula: C12H10N6O3 MolecularWeight: 286.2462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN=CC2=CN=C(N=C2)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O3/c13-12-14-5-8(6-15-12)7-16-17-11(19)9-3-1-2-4-10(9)18(20)21/h1-7H,(H,17,19)(H2,13,14,15)/b16-7+