N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide Traditional Name: N-[4-(isobutyrylamino)benzyl]-3-keto-4H-1,4-benzoxazine-7-carboxamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3

InChI

InChI=1S/C20H21N3O4/c1-12(2)19(25)22-15-6-3-13(4-7-15)10-21-20(26)14-5-8-16-17(9-14)27-11-18(24)23-16/h3-9,12H,10-11H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)