5-methyl-7-(3-nitrophenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one

Systemtic Name: 5-methyl-7-(3-nitrophenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Openeye Name: 5-methyl-7-(3-nitrophenyl)-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one CAS Name: 5-methyl-7-(3-nitrophenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one IUPAC Name: 5-methyl-7-(3-nitrophenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Traditional Name: 5-methyl-7-(3-nitrophenyl)-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C20H16N2O4S/c1-20(18-6-3-9-27-18)16-11-14(7-8-17(16)21-19(23)12-26-20)13-4-2-5-15(10-13)22(24)25/h2-11H,12H2,1H3,(H,21,23)