ethanamine; (E)-4-(1H-indol-3-yloxy)-4-oxidanylidene-but-2-enoate; dihydrate

Systemtic Name: ethanamine; (E)-4-(1H-indol-3-yloxy)-4-oxidanylidene-but-2-enoate; dihydrate Openeye Name: ethanamine; (E)-4-(1H-indol-3-yloxy)-4-oxo-but-2-enoate; dihydrate CAS Name: ethanamine; (E)-4-(1H-indol-3-yloxy)-4-oxo-2-butenoate; dihydrate IUPAC Name: ethanamine; (E)-4-(1H-indol-3-yloxy)-4-oxobut-2-enoate; dihydrate Traditional Name: ethylamine; (E)-4-(1H-indol-3-yloxy)-4-keto-but-2-enoate; dihydrate Formula: C14H19N2O6- MolecularWeight: 311.31046

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Descriptors Computed from Structure

Canonical SMILES:

CCN.C1=CC=C2C(=C1)C(=CN2)OC(=O)C=CC(=O)[O-].O.O

Isomeric SMILES

CCN.C1=CC=C2C(=C1)C(=CN2)OC(=O)/C=C/C(=O)[O-].O.O

InChI

InChI=1S/C12H9NO4.C2H7N.2H2O/c14-11(15)5-6-12(16)17-10-7-13-9-4-2-1-3-8(9)10;1-2-3;;/h1-7,13H,(H,14,15);2-3H2,1H3;2*1H2/p-1/b6-5+;;;