(E)-4-[[6,7-bis(oxidanyl)naphthalen-2-yl]methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[6,7-bis(oxidanyl)naphthalen-2-yl]methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(6,7-dihydroxy-2-naphthyl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(6,7-dihydroxy-2-naphthalenyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(6,7-dihydroxynaphthalen-2-yl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(6,7-dihydroxy-2-naphthyl)methylamino]-4-keto-but-2-enoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C(C=C2C=C1CNC(=O)C=CC(=O)O)O)O

Isomeric SMILES

C1=CC2=CC(=C(C=C2C=C1CNC(=O)/C=C/C(=O)O)O)O

InChI

InChI=1S/C15H13NO5/c17-12-6-10-2-1-9(5-11(10)7-13(12)18)8-16-14(19)3-4-15(20)21/h1-7,17-18H,8H2,(H,16,19)(H,20,21)/b4-3+