(1S)-1-(4-nitrophenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethanol

Systemtic Name: (1S)-1-(4-nitrophenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethanol Openeye Name: (1S)-1-(4-nitrophenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethanol CAS Name: (1S)-1-(4-nitrophenyl)-2-[(3-nitro-2-pyridin-1-iumyl)amino]ethanol IUPAC Name: (1S)-1-(4-nitrophenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethanol Traditional Name: (1S)-1-(4-nitrophenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethanol Formula: C13H13N4O5+ MolecularWeight: 305.26612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5/c18-12(9-3-5-10(6-4-9)16(19)20)8-15-13-11(17(21)22)2-1-7-14-13/h1-7,12,18H,8H2,(H,14,15)/p+1/t12-/m1/s1