methyl 2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoate

Systemtic Name: methyl 2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoate Openeye Name: methyl 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoate CAS Name: 2-[[[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)amino]-oxomethyl]amino]-3-methyl-2-butenoic acid methyl ester IUPAC Name: methyl 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methylbut-2-enoate Traditional Name: 2-[(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoylamino]-3-methyl-but-2-enoic acid methyl ester Formula: C18H18FN3O5 MolecularWeight: 375.351023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)NC1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F)C

Isomeric SMILES

CC(=C(C(=O)OC)NC(=O)NC1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F)C

InChI

InChI=1S/C18H18FN3O5/c1-5-6-22-13-8-12(11(19)7-14(13)27-9-15(22)23)20-18(25)21-16(10(2)3)17(24)26-4/h1,7-8H,6,9H2,2-4H3,(H2,20,21,25)