[(E)-[2-acetamido-1-azanyl-3-oxidanylidene-3-[(phenylmethyl)amino]propylidene]amino] ethanoate

Systemtic Name: [(E)-[2-acetamido-1-azanyl-3-oxidanylidene-3-[(phenylmethyl)amino]propylidene]amino] ethanoate Openeye Name: [(E)-[2-acetamido-1-amino-3-(benzylamino)-3-oxo-propylidene]amino] acetate CAS Name: acetic acid [(E)-[2-acetamido-1-amino-3-oxo-3-[(phenylmethyl)amino]propylidene]amino] ester IUPAC Name: [(E)-[2-acetamido-1-amino-3-(benzylamino)-3-oxopropylidene]amino] acetate Traditional Name: acetic acid [(E)-[2-acetamido-1-amino-3-(benzylamino)-3-keto-propylidene]amino] ester Formula: C14H18N4O4 MolecularWeight: 306.31712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=NOC(=O)C)N)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(/C(=N\OC(=O)C)/N)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C14H18N4O4/c1-9(19)17-12(13(15)18-22-10(2)20)14(21)16-8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H2,15,18)(H,16,21)(H,17,19)