methyl 3-[[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]anilino)propanoate CAS Name: 3-(N-[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]anilino)propanoate Traditional Name: 3-(N-[6-(dimethylamino)-7-nitro-benzofurazan-4-yl]anilino)propionic acid methyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C2=NON=C2C(=C1)N(CCC(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C2=NON=C2C(=C1)N(CCC(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-21(2)14-11-13(16-17(20-28-19-16)18(14)23(25)26)22(10-9-15(24)27-3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3