2-methyl-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate

Systemtic Name: 2-methyl-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate Openeye Name: 4-(benzylamino)-2-methyl-4-oxo-but-2-enoate CAS Name: 2-methyl-4-oxo-4-[(phenylmethyl)amino]-2-butenoate IUPAC Name: 4-(benzylamino)-2-methyl-4-oxobut-2-enoate Traditional Name: 4-(benzylamino)-4-keto-2-methyl-but-2-enoate Formula: C12H12NO3- MolecularWeight: 218.22858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(=CC(=O)NCC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C12H13NO3/c1-9(12(15)16)7-11(14)13-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16)/p-1