4-[[(1E)-1-(6-aminocarbonyl-2-oxidanylidene-1H-indol-3-ylidene)ethyl]amino]benzoic acid

Systemtic Name: 4-[[(1E)-1-(6-aminocarbonyl-2-oxidanylidene-1H-indol-3-ylidene)ethyl]amino]benzoic acid Openeye Name: 4-[[(1E)-1-(6-carbamoyl-2-oxo-indolin-3-ylidene)ethyl]amino]benzoic acid CAS Name: 4-[[(1E)-1-(6-carbamoyl-2-oxo-1H-indol-3-ylidene)ethyl]amino]benzoic acid IUPAC Name: 4-[[(1E)-1-(6-carbamoyl-2-oxo-1H-indol-3-ylidene)ethyl]amino]benzoic acid Traditional Name: 4-[[(1E)-1-(6-carbamoyl-2-keto-indolin-3-ylidene)ethyl]amino]benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2=C(C=C(C=C2)C(=O)N)NC1=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C/C(=C\1/C2=C(C=C(C=C2)C(=O)N)NC1=O)/NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O4/c1-9(20-12-5-2-10(3-6-12)18(24)25)15-13-7-4-11(16(19)22)8-14(13)21-17(15)23/h2-8,20H,1H3,(H2,19,22)(H,21,23)(H,24,25)/b15-9+