2-methyl-4-nitro-6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)iminomethyl]phenolate

Systemtic Name: 2-methyl-4-nitro-6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Openeye Name: 2-methyl-4-nitro-6-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate CAS Name: 2-methyl-4-nitro-6-[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate IUPAC Name: 2-methyl-4-nitro-6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Traditional Name: 2-methyl-4-nitro-6-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate Formula: C20H13N4O4- MolecularWeight: 373.34162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4)[O-]

InChI

InChI=1S/C20H14N4O4/c1-12-7-16(24(26)27)8-14(19(12)25)11-22-15-4-5-18-17(9-15)23-20(28-18)13-3-2-6-21-10-13/h2-11,25H,1H3/p-1