2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate CAS Name: 2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate Formula: C21H14N3O4- MolecularWeight: 372.35356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H15N3O4/c1-13-4-2-3-5-17(13)21-23-18-11-15(6-9-20(18)28-21)22-12-14-10-16(24(26)27)7-8-19(14)25/h2-12,25H,1H3/p-1