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

Systemtic Name: N-[2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[2-ethyl-3-keto-4-[2-(2-methoxyphenyl)ethyl]-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C27H27N3O6 MolecularWeight: 489.51978

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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=CC=C4OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4OC

InChI

InChI=1S/C27H27N3O6/c1-3-23-27(32)29(15-14-18-6-4-5-7-24(18)35-2)17-20-16-21(10-13-25(20)36-23)28-26(31)19-8-11-22(12-9-19)30(33)34/h4-13,16,23H,3,14-15,17H2,1-2H3,(H,28,31)