methyl 4-acetamido-3-(2-azanyl-2-oxidanylidene-ethyl)benzoate

Systemtic Name: methyl 4-acetamido-3-(2-azanyl-2-oxidanylidene-ethyl)benzoate Openeye Name: methyl 4-acetamido-3-(2-amino-2-oxo-ethyl)benzoate CAS Name: 4-acetamido-3-(2-amino-2-oxoethyl)benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(2-amino-2-oxoethyl)benzoate Traditional Name: 4-acetamido-3-(2-amino-2-keto-ethyl)benzoic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)CC(=O)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)CC(=O)N

InChI

InChI=1S/C12H14N2O4/c1-7(15)14-10-4-3-8(12(17)18-2)5-9(10)6-11(13)16/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,15)