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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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