N-(2,5-dimethylphenyl)-4-(4-methoxy-3-nitro-phenyl)phthalazin-1-amine

Systemtic Name: N-(2,5-dimethylphenyl)-4-(4-methoxy-3-nitro-phenyl)phthalazin-1-amine Openeye Name: N-(2,5-dimethylphenyl)-4-(4-methoxy-3-nitro-phenyl)phthalazin-1-amine CAS Name: N-(2,5-dimethylphenyl)-4-(4-methoxy-3-nitrophenyl)-1-phthalazinamine IUPAC Name: N-(2,5-dimethylphenyl)-4-(4-methoxy-3-nitrophenyl)phthalazin-1-amine Traditional Name: (2,5-dimethylphenyl)-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amine Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3/c1-14-8-9-15(2)19(12-14)24-23-18-7-5-4-6-17(18)22(25-26-23)16-10-11-21(30-3)20(13-16)27(28)29/h4-13H,1-3H3,(H,24,26)