7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[[(5-methylisoxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[[(5-methyl-3-isoxazolyl)amino]-(3-nitrophenyl)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[[(5-methylisoxazol-3-yl)amino]-(3-nitrophenyl)methyl]quinolin-1-ium-8-ol Formula: C20H17N4O4+ MolecularWeight: 377.37338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=[NH+]4)C=C3)O

Isomeric SMILES

CC1=CC(=NO1)NC(C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=[NH+]4)C=C3)O

InChI

InChI=1S/C20H16N4O4/c1-12-10-17(23-28-12)22-18(14-4-2-6-15(11-14)24(26)27)16-8-7-13-5-3-9-21-19(13)20(16)25/h2-11,18,25H,1H3,(H,22,23)/p+1