1-(5-chloranyl-4-nitro-2-oxidanyl-phenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea

Systemtic Name: 1-(5-chloranyl-4-nitro-2-oxidanyl-phenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea Openeye Name: 1-(5-chloro-2-hydroxy-4-nitro-phenyl)-3-[4-(4-pyridylmethyl)phenyl]urea CAS Name: 1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea IUPAC Name: 1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea Traditional Name: 1-(5-chloro-2-hydroxy-4-nitro-phenyl)-3-[4-(4-pyridylmethyl)phenyl]urea Formula: C19H15ClN4O4 MolecularWeight: 398.7998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)NC3=CC(=C(C=C3O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)NC3=CC(=C(C=C3O)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN4O4/c20-15-10-16(18(25)11-17(15)24(27)28)23-19(26)22-14-3-1-12(2-4-14)9-13-5-7-21-8-6-13/h1-8,10-11,25H,9H2,(H2,22,23,26)