2-[[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C22H16N3O5- MolecularWeight: 402.37954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c1-13-9-14(22-24-18-5-3-4-6-19(18)30-22)7-8-17(13)23-12-15-10-16(25(27)28)11-20(29-2)21(15)26/h3-12,26H,1-2H3/p-1