[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C14H17BrN2O6 MolecularWeight: 389.19858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC(=O)N)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC(=O)N)Br)OC

InChI

InChI=1S/C14H17BrN2O6/c1-3-22-10-5-8(4-9(15)13(10)21-2)14(20)23-7-12(19)17-6-11(16)18/h4-5H,3,6-7H2,1-2H3,(H2,16,18)(H,17,19)