1,5-dimethyl-4-[(5-nitrobenzotriazol-1-yl)methylamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(5-nitrobenzotriazol-1-yl)methylamino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(5-nitrobenzotriazol-1-yl)methylamino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(5-nitro-1-benzotriazolyl)methylamino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(5-nitrobenzotriazol-1-yl)methylamino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(5-nitrobenzotriazol-1-yl)methylamino]-2-phenyl-3-pyrazolin-3-one Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])N=N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])N=N3

InChI

InChI=1S/C18H17N7O3/c1-12-17(18(26)24(22(12)2)13-6-4-3-5-7-13)19-11-23-16-9-8-14(25(27)28)10-15(16)20-21-23/h3-10,19H,11H2,1-2H3