(2S)-2-azanyl-3-(5-oxidanylidenebenzo[a]phenoxazin-10-yl)propanoic acid nitrate

Systemtic Name: (2S)-2-azanyl-3-(5-oxidanylidenebenzo[a]phenoxazin-10-yl)propanoic acid nitrate Openeye Name: (2S)-2-amino-3-(5-oxobenzo[a]phenoxazin-10-yl)propanoic acid nitrate CAS Name: (2S)-2-amino-3-(5-oxo-10-benzo[a]phenoxazinyl)propanoic acid nitrate IUPAC Name: (2S)-2-amino-3-(5-oxobenzo[a]phenoxazin-10-yl)propanoic acid nitrate Traditional Name: (2S)-2-amino-3-(5-ketobenzo[a]phenoxazin-10-yl)propionic acid nitrate Formula: C19H14N3O7- MolecularWeight: 396.33036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)C[C@@H](C(=O)O)N.[N+](=O)([O-])[O-]

InChI

InChI=1S/C19H14N2O4.NO3/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16;2-1(3)4/h1-6,8-9,13H,7,20H2,(H,23,24);/q;-1/t13-;/m0./s1