2-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Formula: C21H14N3O4- MolecularWeight: 372.35356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

InChI

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