N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Openeye Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanamide IUPAC Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Traditional Name: N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-[[(E)-3-phenylacryloyl]amino]propionamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CCNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-14-21(27)24-17-13-16(8-9-18(17)28-14)23-20(26)11-12-22-19(25)10-7-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,22,25)(H,23,26)(H,24,27)/b10-7+/t14-/m0/s1