4-nitro-2-[(1,2,4-triazol-4-ylamino)methylidene]naphthalen-1-one

Systemtic Name: 4-nitro-2-[(1,2,4-triazol-4-ylamino)methylidene]naphthalen-1-one Openeye Name: 4-nitro-2-[(1,2,4-triazol-4-ylamino)methylene]naphthalen-1-one CAS Name: 4-nitro-2-[(1,2,4-triazol-4-ylamino)methylidene]-1-naphthalenone IUPAC Name: 4-nitro-2-[(1,2,4-triazol-4-ylamino)methylidene]naphthalen-1-one Traditional Name: 4-nitro-2-[(1,2,4-triazol-4-ylamino)methylene]naphthalen-1-one Formula: C13H9N5O3 MolecularWeight: 283.24226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=CNN3C=NN=C3)C2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=CNN3C=NN=C3)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O3/c19-13-9(6-16-17-7-14-15-8-17)5-12(18(20)21)10-3-1-2-4-11(10)13/h1-8,16H