[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-chloranyl-5-methoxy-benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-chloranyl-5-methoxy-benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-butoxy-3-chloro-5-methoxy-benzoate CAS Name: 4-butoxy-3-chloro-5-methoxybenzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate Traditional Name: 4-butoxy-3-chloro-5-methoxy-benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C16H21ClN2O6 MolecularWeight: 372.80074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC(=O)N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC(=O)N)OC

InChI

InChI=1S/C16H21ClN2O6/c1-3-4-5-24-15-11(17)6-10(7-12(15)23-2)16(22)25-9-14(21)19-8-13(18)20/h6-7H,3-5,8-9H2,1-2H3,(H2,18,20)(H,19,21)