N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Formula: C28H29N3O7 MolecularWeight: 519.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29N3O7/c1-4-23-28(33)30(14-13-18-5-11-25(36-2)26(15-18)37-3)17-20-16-21(8-12-24(20)38-23)29-27(32)19-6-9-22(10-7-19)31(34)35/h5-12,15-16,23H,4,13-14,17H2,1-3H3,(H,29,32)