[[(3E)-4-azanyl-3-hydroxyimino-2-methyl-cyclohexa-1,5-dien-1-yl]carbonylamino]methyl 3-phenylpropanoate

Systemtic Name: [[(3E)-4-azanyl-3-hydroxyimino-2-methyl-cyclohexa-1,5-dien-1-yl]carbonylamino]methyl 3-phenylpropanoate Openeye Name: [[(3E)-4-amino-3-hydroxyimino-2-methyl-cyclohexa-1,5-diene-1-carbonyl]amino]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [[[(3E)-4-amino-3-hydroxyimino-2-methyl-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]methyl ester IUPAC Name: [[(3E)-4-amino-3-hydroxyimino-2-methylcyclohexa-1,5-diene-1-carbonyl]amino]methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [[(3E)-4-amino-3-hydroximino-2-methyl-cyclohexa-1,5-diene-1-carbonyl]amino]methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(C1=NO)N)C(=O)NCOC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC\1=C(C=CC(/C1=N/O)N)C(=O)NCOC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-12-14(8-9-15(19)17(12)21-24)18(23)20-11-25-16(22)10-7-13-5-3-2-4-6-13/h2-6,8-9,15,24H,7,10-11,19H2,1H3,(H,20,23)/b21-17+