[4-[(5-chloranyl-4-nitro-2-oxidanyl-phenyl)iminomethyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(5-chloranyl-4-nitro-2-oxidanyl-phenyl)iminomethyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(5-chloro-2-hydroxy-4-nitro-phenyl)iminomethyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(5-chloro-2-hydroxy-4-nitrophenyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(5-chloro-2-hydroxy-4-nitrophenyl)iminomethyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(5-chloro-2-hydroxy-4-nitro-phenyl)iminomethyl]phenyl] ester Formula: C19H12ClN3O5 MolecularWeight: 397.76868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC(=C(C=C3O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC(=C(C=C3O)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H12ClN3O5/c20-15-8-16(18(24)9-17(15)23(26)27)22-10-12-3-5-14(6-4-12)28-19(25)13-2-1-7-21-11-13/h1-11,24H