diethyl-[4-[(4-nitro-2-oxidanyl-phenyl)azaniumylidenemethyl]-3-oxidanyl-phenyl]azanium

Systemtic Name: diethyl-[4-[(4-nitro-2-oxidanyl-phenyl)azaniumylidenemethyl]-3-oxidanyl-phenyl]azanium Openeye Name: diethyl-[3-hydroxy-4-[(2-hydroxy-4-nitro-phenyl)iminiomethyl]phenyl]ammonium CAS Name: diethyl-[3-hydroxy-4-[(2-hydroxy-4-nitrophenyl)iminiomethyl]phenyl]ammonium IUPAC Name: diethyl-[3-hydroxy-4-[(2-hydroxy-4-nitrophenyl)azaniumylidenemethyl]phenyl]azanium Traditional Name: diethyl-[3-hydroxy-4-[(2-hydroxy-4-nitro-phenyl)iminiomethyl]phenyl]ammonium Formula: C17H21N3O4+2 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC(=C(C=C1)C=[NH+]C2=C(C=C(C=C2)[N+](=O)[O-])O)O

Isomeric SMILES

CC[NH+](CC)C1=CC(=C(C=C1)C=[NH+]C2=C(C=C(C=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C17H19N3O4/c1-3-19(4-2)13-6-5-12(16(21)9-13)11-18-15-8-7-14(20(23)24)10-17(15)22/h5-11,21-22H,3-4H2,1-2H3/p+2