(E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; 4-(4-azanylphenoxy)-2-methyl-aniline

Systemtic Name: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; 4-(4-azanylphenoxy)-2-methyl-aniline Openeye Name: (E)-4-amino-4-oxo-but-2-enoic acid; 4-(4-aminophenoxy)-2-methyl-aniline CAS Name: (E)-4-amino-4-oxo-2-butenoic acid; 4-(4-aminophenoxy)-2-methylaniline IUPAC Name: (E)-4-amino-4-oxobut-2-enoic acid; 4-(4-aminophenoxy)-2-methylaniline Traditional Name: (E)-4-amino-4-keto-but-2-enoic acid; [4-(4-amino-3-methyl-phenoxy)phenyl]amine Formula: C21H24N4O7 MolecularWeight: 444.43786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)N)N.C(=CC(=O)O)C(=O)N.C(=CC(=O)O)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)N)N.C(=C/C(=O)O)\C(=O)N.C(=C/C(=O)O)\C(=O)N

InChI

InChI=1S/C13H14N2O.2C4H5NO3/c1-9-8-12(6-7-13(9)15)16-11-4-2-10(14)3-5-11;2*5-3(6)1-2-4(7)8/h2-8H,14-15H2,1H3;2*1-2H,(H2,5,6)(H,7,8)/b;2*2-1+