(2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(E)-3-(3-nitrophenyl)acryloyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-2-12-22-21(26)19-14-23(17-8-3-4-9-18(17)29-19)20(25)11-10-15-6-5-7-16(13-15)24(27)28/h3-11,13,19H,2,12,14H2,1H3,(H,22,26)/b11-10+/t19-/m1/s1