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

Systemtic Name: 4-chloranyl-3,5-dimethyl-2-nitro-6-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Openeye Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate CAS Name: 4-chloro-3,5-dimethyl-2-nitro-6-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)iminomethyl]phenolate IUPAC Name: 4-chloro-3,5-dimethyl-2-nitro-6-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Traditional Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate Formula: C21H14ClN4O4- MolecularWeight: 421.81326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Cl)C)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=C(C(=C1Cl)C)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H15ClN4O4/c1-11-15(20(27)19(26(28)29)12(2)18(11)22)10-24-14-3-4-17-16(9-14)25-21(30-17)13-5-7-23-8-6-13/h3-10,27H,1-2H3/p-1