[4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C22H15N5O4 MolecularWeight: 413.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=CN2N=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=CN2/N=C\C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O4/c28-22(18-7-4-8-19(13-18)27(29)30)31-20-11-9-16(10-12-20)14-24-26-15-23-25-21(26)17-5-2-1-3-6-17/h1-15H/b24-14-