[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-5-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-6-oxidanyl-cyclohex-3-en-1-yl] N-prop-2-enylcarbamate

Systemtic Name: [3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-5-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-6-oxidanyl-cyclohex-3-en-1-yl] N-prop-2-enylcarbamate Openeye Name: [3-[(2-amino-2-oxo-ethyl)carbamoyl]-5-[(2-bromo-5-methoxy-benzoyl)amino]-6-hydroxy-cyclohex-3-en-1-yl] N-allylcarbamate CAS Name: N-prop-2-enylcarbamic acid [3-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-5-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]-6-hydroxy-1-cyclohex-3-enyl] ester IUPAC Name: [3-[(2-amino-2-oxoethyl)carbamoyl]-5-[(2-bromo-5-methoxybenzoyl)amino]-6-hydroxycyclohex-3-en-1-yl] N-prop-2-enylcarbamate Traditional Name: N-allylcarbamic acid [3-[(2-amino-2-keto-ethyl)carbamoyl]-5-[(2-bromo-5-methoxy-benzoyl)amino]-6-hydroxy-cyclohex-3-en-1-yl] ester Formula: C21H25BrN4O7 MolecularWeight: 525.3498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2C=C(CC(C2O)OC(=O)NCC=C)C(=O)NCC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2C=C(CC(C2O)OC(=O)NCC=C)C(=O)NCC(=O)N

InChI

InChI=1S/C21H25BrN4O7/c1-3-6-24-21(31)33-16-8-11(19(29)25-10-17(23)27)7-15(18(16)28)26-20(30)13-9-12(32-2)4-5-14(13)22/h3-5,7,9,15-16,18,28H,1,6,8,10H2,2H3,(H2,23,27)(H,24,31)(H,25,29)(H,26,30)