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1-[(3-methylphenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate
1-[(3-methylphenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)N=CC2=C(C(=CC3=C2C4=C(O3)CCCC4)[N+](=O)[O-])[O-]
Isomeric SMILES
CC1=CC(=CC=C1)N=CC2=C(C(=CC3=C2C4=C(O3)CCCC4)[N+](=O)[O-])[O-]
InChI
InChI=1S/C20H18N2O4/c1-12-5-4-6-13(9-12)21-11-15-19-14-7-2-3-8-17(14)26-18(19)10-16(20(15)23)22(24)25/h4-6,9-11,23H,2-3,7-8H2,1H3/p-1
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