1-(3-azanylpropyl)-3-(4-nitrophenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-(3-azanylpropyl)-3-(4-nitrophenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 1-(3-aminopropyl)-3-(4-nitrophenyl)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 1-(3-aminopropyl)-3-(4-nitrophenyl)-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 1-(3-aminopropyl)-3-(4-nitrophenyl)-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 1-(3-aminopropyl)-3-(4-nitrophenyl)-4-oxido-quinoxalin-4-ium-2-one Formula: C17H16N4O4 MolecularWeight: 340.33334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-])CCCN

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-])CCCN

InChI

InChI=1S/C17H16N4O4/c18-10-3-11-19-14-4-1-2-5-15(14)20(23)16(17(19)22)12-6-8-13(9-7-12)21(24)25/h1-2,4-9H,3,10-11,18H2