4-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]-3-nitro-benzoic acid CAS Name: 4-[[(4S)-4-amino-5-hydroxy-5-oxopentyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[(4S)-4-amino-5-hydroxy-5-oxopentyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[(4S)-4-amino-5-hydroxy-5-keto-pentyl]amino]-3-nitro-benzoic acid Formula: C12H15N3O6 MolecularWeight: 297.264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NCCCC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H15N3O6/c13-8(12(18)19)2-1-5-14-9-4-3-7(11(16)17)6-10(9)15(20)21/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)(H,18,19)/t8-/m0/s1