3-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenol

Systemtic Name: 3-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenol Openeye Name: 3-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenol CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]amino]phenol IUPAC Name: 3-[[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]amino]phenol Traditional Name: 3-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenol Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4/c1-29-19-10-9-13(11-18(19)25(27)28)20-16-7-2-3-8-17(16)21(24-23-20)22-14-5-4-6-15(26)12-14/h2-12,26H,1H3,(H,22,24)