2-(aminomethyl)-2-azanyl-4-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxidanylidene-butanoate

Systemtic Name: 2-(aminomethyl)-2-azanyl-4-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxidanylidene-butanoate Openeye Name: 2-amino-2-(aminomethyl)-4-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]-3-oxo-butanoate CAS Name: 2-amino-2-(aminomethyl)-4-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]-3-oxobutanoate IUPAC Name: 2-amino-2-(aminomethyl)-4-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxobutanoate Traditional Name: 2-amino-2-(aminomethyl)-4-[3-(4-cyanophenyl)-2-isoxazolin-5-yl]-3-keto-butyrate Formula: C15H15N4O4- MolecularWeight: 315.304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)C#N)CC(=O)C(CN)(C(=O)[O-])N

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C#N)CC(=O)C(CN)(C(=O)[O-])N

InChI

InChI=1S/C15H16N4O4/c16-7-9-1-3-10(4-2-9)12-5-11(23-19-12)6-13(20)15(18,8-17)14(21)22/h1-4,11H,5-6,8,17-18H2,(H,21,22)/p-1