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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H15N3O4/c25-19-8-7-17(24(26)27)11-15(19)13-22-16-6-9-20-18(12-16)23-21(28-20)10-14-4-2-1-3-5-14/h1-9,11-13,25H,10H2/p-1