N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide

Systemtic Name: N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Openeye Name: N-(2-methyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide CAS Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitrobenzamide IUPAC Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitrobenzamide Traditional Name: N-(3-keto-2-methyl-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(C1=O)C

InChI

InChI=1S/C21H23N3O5/c1-4-13(2)23-12-16-11-17(7-10-19(16)29-14(3)21(23)26)22-20(25)15-5-8-18(9-6-15)24(27)28/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)