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

Systemtic Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[3-(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=C1N=CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1N=CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

InChI

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