ethanoic acid; N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine

Systemtic Name: ethanoic acid; N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine Openeye Name: acetic acid; N-[(E)-(4-nitrophenyl)methyleneamino]-7H-purin-6-amine CAS Name: acetic acid; N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine IUPAC Name: acetic acid; N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine Traditional Name: acetic acid; [(E)-(4-nitrobenzylidene)amino]-(7H-purin-6-yl)amine Formula: C14H13N7O4 MolecularWeight: 343.29752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1C=NNC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1/C=N/NC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N7O2.C2H4O2/c20-19(21)9-3-1-8(2-4-9)5-17-18-12-10-11(14-6-13-10)15-7-16-12;1-2(3)4/h1-7H,(H2,13,14,15,16,18);1H3,(H,3,4)/b17-5+;