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

Systemtic Name: 4-chloranyl-3,5-dimethyl-2-nitro-6-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Openeye Name: 4-chloro-3,5-dimethyl-2-nitro-6-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenolate CAS Name: 4-chloro-3,5-dimethyl-2-nitro-6-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenolate IUPAC Name: 4-chloro-3,5-dimethyl-2-nitro-6-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Traditional Name: 4-chloro-3,5-dimethyl-2-nitro-6-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenolate Formula: C22H15ClN3O4- MolecularWeight: 420.8252

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4/c1-12-16(21(27)20(26(28)29)13(2)19(12)23)11-24-15-8-9-18-17(10-15)25-22(30-18)14-6-4-3-5-7-14/h3-11,27H,1-2H3/p-1