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4-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
4-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC
Isomeric SMILES
COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C22H21N3O5/c1-29-19-12-7-14(13-20(19)30-2)21-17-5-3-4-6-18(17)22(26)24(23-21)15-8-10-16(11-9-15)25(27)28/h3-4,7-13,17-18H,5-6H2,1-2H3
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