methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate

Systemtic Name: methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate Openeye Name: methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate CAS Name: 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate Traditional Name: 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propionic acid methyl ester Formula: C18H17N3O5 MolecularWeight: 355.34468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2)C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2)C(=O)OC

InChI

InChI=1S/C18H17N3O5/c1-11(18(22)25-2)12-3-5-13(6-4-12)19-17-10-26-16-8-7-14(21(23)24)9-15(16)20-17/h3-9,11H,10H2,1-2H3,(H,19,20)