1,5-dimethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-phenyl-3-pyrazolin-3-one Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H16N4O5/c1-12-18(19(24)22(21(12)2)14-6-4-3-5-7-14)20-10-13-8-16-17(28-11-27-16)9-15(13)23(25)26/h3-10H,11H2,1-2H3