4-nitro-2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenolate Openeye Name: 4-nitro-2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenolate CAS Name: 4-nitro-2-[(2-phenyl-5-benzotriazolyl)iminomethyl]phenolate IUPAC Name: 4-nitro-2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenolate Traditional Name: 4-nitro-2-[(2-phenylbenzotriazol-5-yl)iminomethyl]phenolate Formula: C19H12N5O3- MolecularWeight: 358.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H13N5O3/c25-19-9-7-16(24(26)27)10-13(19)12-20-14-6-8-17-18(11-14)22-23(21-17)15-4-2-1-3-5-15/h1-12,25H/p-1