2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[3-nitro-4-(1,2,4-triazol-4-ylamino)phenyl]phthalazin-1-one Formula: C17H13N7O3 MolecularWeight: 363.33022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NN4C=NN=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NN4C=NN=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O3/c1-22-17(25)13-5-3-2-4-12(13)16(21-22)11-6-7-14(15(8-11)24(26)27)20-23-9-18-19-10-23/h2-10,20H,1H3